N-(4-amino-3-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-methylbenzenesulfonamide
fo-4acbc011981cc738
Identity
- Type
- Neutral molecule
- CAS
- 81-68-5
- EC
- 201-369-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
22- 1-Amino-2-methoxy-4-p-tolylsulfonamidoanthraquinone
- Benzenesulfonamide, N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-4-methyl-
- C.I. Disperse Red 86
- Disperse Brilliant Pink FRL
- Disperse Pink R 3L
- Disperse Red 86
- Eastman Polyester Pink R-LSH
- Eastman Polyester Pink RL
- Esterophile Light Pink R 3L
- Foron Brilliant Red S 5GL
- Foron Brilliant Red SE 5GL
- N-(4-Amino-3-methoxy-1-anthraquinonyl)-p-toluenesulfonamide
- N-(4-Amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-4-methylbenzenesulfonamide
- p-Toluenesulfonamide, N-(4-amino-3-methoxy-1-anthraquinonyl)-
- Serilene Pink G-LS
- Terasil Brilliant Pink 2GL
- Terasil Brilliant Red 2GLA
- Terasil Pink 2GLA
- Terasil Pink 2GLA01
- Teratop Pink 2GLA
- Viosperse Brilliant Pink 2GL-FS
- Viosperse Red 2G-LFS
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | BXIGAWRFDMDLTL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C22H18N2O5S/c1-12-7-9-13(10-8-12)30(27,28)24-16-11-17(29-2)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26/h3-11,24H,23H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | N-(4-amino-3-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-methylbenzenesulfonamide |
| Molecular formula chemrof:molecular_formula | C22H18N2O5S |
| Molecular mass chemrof:molecular_mass | 422.462 |
| Monoisotopic mass chemrof:monoisotopic_mass | 422.093643 |
| SMILES string chemrof:smiles_string | COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2c(c1N)C(=O)c1ccccc1C2=O |
Known URLs
10Where 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=81-68-5 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.246 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.128.898 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5044730 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=164933 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2132037 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/09YGU3071S | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J96.948F | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/66486 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27236511 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 83176739-b02a-4b5b-b388-41f6d0079534 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| c72692fd-4c46-4c31-a425-44ff62d75be3 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| ae9f058f-7886-4c95-80dd-2d9d463d4b50 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 53823116-54cc-427e-9355-37b8a14e079f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ad5cc0dd-477f-46c6-b71f-feb04dc57026 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| de5afa60-0273-4416-bbf6-51c1450bb20e | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 7c295c9c-07a6-451f-ae2a-bf4542827c32 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 09d00c73-63fb-4841-bc6a-40d3ce24496c | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| eac4b7bd-a099-4325-98e7-7e898b2423ce | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 7f5799b1-b3bf-47b0-be1f-4b48450acfe2 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3d20077c-a61a-4c5e-aa2c-2869bcacc6a5 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 707e2c2c-669d-4120-b51c-d2f63d91a9d3 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 32b6ebb9-74e9-4617-9d31-b12291459f3e | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-4acbc011981cc738",
"prefLabel": [
{
"@value": "N-(4-amino-3-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-methylbenzenesulfonamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "1-Amino-2-methoxy-4-p-tolylsulfonamidoanthraquinone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzenesulfonamide, N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-4-methyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "C.I. Disperse Red 86",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Disperse Brilliant Pink FRL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Disperse Pink R 3L",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Disperse Red 86",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Eastman Polyester Pink R-LSH",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Eastman Polyester Pink RL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Esterophile Light Pink R 3L",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Foron Brilliant Red S 5GL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Foron Brilliant Red SE 5GL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(4-Amino-3-methoxy-1-anthraquinonyl)-p-toluenesulfonamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(4-Amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-4-methylbenzenesulfonamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "p-Toluenesulfonamide, N-(4-amino-3-methoxy-1-anthraquinonyl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Serilene Pink G-LS",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Terasil Brilliant Pink 2GL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Terasil Brilliant Red 2GLA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Terasil Pink 2GLA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Terasil Pink 2GLA01",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Teratop Pink 2GLA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Viosperse Brilliant Pink 2GL-FS",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Viosperse Red 2G-LFS",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:81-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C22H18N2O5S"
],
"attested_by": {
"C22H18N2O5S": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:66486"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2c(c1N)C(=O)c1ccccc1C2=O"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"BXIGAWRFDMDLTL-UHFFFAOYSA-N"
],
"attested_by": {
"BXIGAWRFDMDLTL-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:66486"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2c(c1N)C(=O)c1ccccc1C2=O"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2c(c1N)C(=O)c1ccccc1C2=O"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-(4-amino-3-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-methylbenzenesulfonamide"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2c(c1N)C(=O)c1ccccc1C2=O"
]
}
],
"attested_by": {
"COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2c(c1N)C(=O)c1ccccc1C2=O": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C22H18N2O5S/c1-12-7-9-13(10-8-12)30(27,28)24-16-11-17(29-2)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26/h3-11,24H,23H2,1-2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-(4-amino-3-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-methylbenzenesulfonamide"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2c(c1N)C(=O)c1ccccc1C2=O"
]
}
],
"attested_by": {
"InChI=1S/C22H18N2O5S/c1-12-7-9-13(10-8-12)30(27,28)24-16-11-17(29-2)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26/h3-11,24H,23H2,1-2H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"N-(4-amino-3-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-methylbenzenesulfonamide"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-(4-amino-3-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-methylbenzenesulfonamide"
]
},
"attested_by": {
"N-(4-amino-3-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-methylbenzenesulfonamide": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
422.462
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2c(c1N)C(=O)c1ccccc1C2=O"
]
}
],
"attested_by": {
"422.462": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
422.093643
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2c(c1N)C(=O)c1ccccc1C2=O"
]
}
],
"attested_by": {
"422.093643": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J96.948F",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:66486;CAS:81-68-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[81-68-5]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.001.246",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:66486;CAS:81-68-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[81-68-5]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.128.898",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:66486;CAS:81-68-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[81-68-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=81-68-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"81-68-5"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID5044730",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:66486;CAS:81-68-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[81-68-5]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=164933",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:66486;CAS:81-68-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[81-68-5]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/09YGU3071S",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:66486;CAS:81-68-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[81-68-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/66486",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:66486;CAS:81-68-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[81-68-5]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2132037",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:66486;CAS:81-68-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[81-68-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27236511",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:66486;CAS:81-68-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[81-68-5]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "09d00c73-63fb-4841-bc6a-40d3ce24496c",
"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": [
"81-68-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=81-68-5"
}
],
"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": [
"201-369-2"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=201-369-2"
],
"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