Drometrizole
fo-b13ac8e47da2c579
Identity
- Type
- Neutral molecule
- CAS
- 2440-22-4
- EC
- 219-470-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
37- 2-(2-Hydroxy-5-methyl)benzotriazole
- 2-(2-Hydroxy-5-methylphenyl)-2H-benzotriazole
- 2-(2-Hydroxy-5-methylphenyl)benzotriazole
- 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenol
- 2-(2h-benzotriazol-2-yl)-4-methylphenol
- 2-(2H-Benzotriazol-2-yl)-p-cresol
- 2-(2′-Hydroxy-5′-methylphenyl)-2H-benzotriazole
- 2-(2′-Hydroxy-5′-methylphenyl)benzotriazole
- 2-(5-Methyl-2-hydroxyphenyl)benzotriazole
- 2-(5′-Methyl-2′-hydroxyphenyl)benzotriazole
- 2-Benzotriazol-2-yl-4-methylphenol
- 3033P
- 4-Methyl-2-(2H-benzotriazol-2-yl)phenol
- Adeka Stab LA 32
- ADK Stab LA 32
- ADK-ARKLS DN 13
- Benazol II
- Benazol P
- Chisorb P
- Dainsorb T 1
- Eversorb 71
- JCK-W-UA
- Kemisorb 71
- Lowilite 55
- Mark LA 32
- p-Cresol, 2-(2H-benzotriazol-2-yl)-
- Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-
- Seikalizer AZ
- Solartex UVP
- Tinuvin P
- Tinuvin PED
- Tinuvin UV-P
- UV Absorber 1
- UV-P
- UV-P (UV stabilizer)
- UVA-P
- Uvasorb SV
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | MCPKSFINULVDNX-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3 |
| IUPAC name chemrof:IUPAC_name | 2-(2h-benzotriazol-2-yl)-4-methylphenol |
| Molecular formula chemrof:molecular_formula | C13H11N3O |
| Molecular mass chemrof:molecular_mass | 225.251 |
| Monoisotopic mass chemrof:monoisotopic_mass | 225.09021, 225.090212 |
| SMILES string chemrof:smiles_string | Cc1ccc(O)c(-n2nc3ccccc3n2)c1 |
Known URLs
17Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=2440-22-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:134926 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.017.700 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.112.610 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1027479 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB20054 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:3166 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/3166 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=91885 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1564747 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5X93W9OFZL | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0245672 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.899I | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D03913 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77133 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/17113 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27263002 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 4a866826-8e51-4fe2-b658-2ea6fad3955e | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 0198411e-f3c0-4698-8d08-30b319896a74 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| e391568f-434e-4dc5-97f3-4d4951d1714c | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 877e783d-db88-4fe7-a62f-5bb9e96f3bb1 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 697b2c4d-f98e-4e3b-8bab-10710d438088 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| ffabe65f-3386-4933-ae45-a317dc88beb5 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 52f65819-6066-4189-9226-73f3e6ddb253 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| d5e089a3-8d28-4689-96a9-6ab699e8e82a | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| eb76592b-2ff3-48da-a54f-dbde72eef886 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| dc029520-4b6d-4014-acbc-35d07dd828a5 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 9dedee71-608b-436f-8a11-71a9f27a7f88 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 482a4714-f144-43e6-a287-53df7294fc23 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 8b8c3d2c-48fe-484d-bbc9-51c12af7c5b0 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-b13ac8e47da2c579",
"prefLabel": [
{
"@value": "Drometrizole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1"
],
"prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
}
}
],
"altLabel": [
{
"@value": "2-(2-Hydroxy-5-methyl)benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2-Hydroxy-5-methylphenyl)-2H-benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2-Hydroxy-5-methylphenyl)benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2h-benzotriazol-2-yl)-4-methylphenol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "original name retained as altLabel"
}
},
{
"@value": "2-(2H-Benzotriazol-2-yl)-p-cresol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2′-Hydroxy-5′-methylphenyl)-2H-benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2′-Hydroxy-5′-methylphenyl)benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(5-Methyl-2-hydroxyphenyl)benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(5′-Methyl-2′-hydroxyphenyl)benzotriazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Benzotriazol-2-yl-4-methylphenol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3033P",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Methyl-2-(2H-benzotriazol-2-yl)phenol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Adeka Stab LA 32",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "ADK Stab LA 32",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "ADK-ARKLS DN 13",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benazol II",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benazol P",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Chisorb P",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dainsorb T 1",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Eversorb 71",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "JCK-W-UA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kemisorb 71",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Lowilite 55",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mark LA 32",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "p-Cresol, 2-(2H-benzotriazol-2-yl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Seikalizer AZ",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Solartex UVP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tinuvin P",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tinuvin PED",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tinuvin UV-P",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "UV Absorber 1",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "UV-P",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "UV-P (UV stabilizer)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "UVA-P",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Uvasorb SV",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2440-22-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C13H11N3O"
],
"attested_by": {
"C13H11N3O": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_134926"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17113"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(O)c(-n2nc3ccccc3n2)c1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Cc1ccc(O)c(-n2nc3ccccc3n2)c1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-(2h-benzotriazol-2-yl)-4-methylphenol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(O)c(-n2nc3ccccc3n2)c1"
]
}
],
"attested_by": {
"Cc1ccc(O)c(-n2nc3ccccc3n2)c1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-(2h-benzotriazol-2-yl)-4-methylphenol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(O)c(-n2nc3ccccc3n2)c1"
]
}
],
"attested_by": {
"InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"MCPKSFINULVDNX-UHFFFAOYSA-N"
],
"attested_by": {
"MCPKSFINULVDNX-UHFFFAOYSA-N": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_134926"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17113"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(O)c(-n2nc3ccccc3n2)c1"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
225.251
],
"attested_by": {
"225.251": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_134926"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.mass"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(O)c(-n2nc3ccccc3n2)c1"
]
}
]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"@value": [
225.09021,
225.090212
],
"attested_by": {
"225.09021": [
"enrich_references.chebi_semantic"
],
"225.090212": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"rdfs:label": "Monoisotopic mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_134926"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(O)c(-n2nc3ccccc3n2)c1"
]
}
]
},
"https://w3id.org/chemrof/elemental_charge": {
"@id": "https://w3id.org/chemrof/elemental_charge",
"@value": [
0
],
"attested_by": {
"0": [
"enrich_references.chebi_semantic"
]
},
"rdfs:label": "Elemental charge",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_134926"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.charge"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2-(2h-benzotriazol-2-yl)-4-methylphenol"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-(2h-benzotriazol-2-yl)-4-methylphenol"
]
},
"attested_by": {
"2-(2h-benzotriazol-2-yl)-4-methylphenol": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "drugcentral:3166",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_134926"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.899I",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17113;CAS:2440-22-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2440-22-4]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.017.700",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17113;CAS:2440-22-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2440-22-4]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.112.610",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17113;CAS:2440-22-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2440-22-4]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2440-22-4",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_134926"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID1027479",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17113;CAS:2440-22-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2440-22-4]"
}
},
{
"@id": "https://drugcentral.org/drugcard/3166",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17113;CAS:2440-22-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2440-22-4]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=91885",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17113;CAS:2440-22-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2440-22-4]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5X93W9OFZL",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17113;CAS:2440-22-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2440-22-4]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0245672",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17113;CAS:2440-22-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2440-22-4]"
}
},
{
"@id": "https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77133",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17113;CAS:2440-22-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2440-22-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/17113",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17113;CAS:2440-22-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[2440-22-4]"
}
},
{
"@id": "https://www.drugbank.ca/drugs/DB20054",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17113;CAS:2440-22-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2440-22-4]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:134926",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_id_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_134926"
],
"prov:wasDerivedFrom": "chebi.id"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1564747",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17113;CAS:2440-22-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2440-22-4]"
}
},
{
"@id": "https://www.kegg.jp/entry/D03913",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17113;CAS:2440-22-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2440-22-4]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27263002",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17113;CAS:2440-22-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2440-22-4]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0198411e-f3c0-4698-8d08-30b319896a74",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"2440-22-4"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2440-22-4"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"219-470-5"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=219-470-5"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works