4-{[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl}-3-hydroxy-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-2-naphthamide
fo-934151313b66de8e
Identity
- Type
- Neutral molecule
- CAS
- 12225-08-0
- EC
- 235-426-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
10- 2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-4-[2-[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]diazenyl]-3-hydroxy-
- 2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-4-[[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]azo]-3-hydroxy-
- Bordeaux HF 3R13-3390
- C.I. Pigment Violet 32
- Graphtol Bordeaux HF 3R
- N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-4-[2-[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]diazenyl]-3-hydroxy-2-naphthalenecarboxamide
- Novoperm Bordeaux HF 3R
- Permanent Bordeaux HF3R
- Pigment Violet 32
- PV Bordeaux HF 3R
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | UYYYMGPWQPIMAL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C27H24N6O7S/c1-28-41(37,38)23-13-21(39-2)20(12-22(23)40-3)32-33-24-16-7-5-4-6-14(16)10-17(25(24)34)26(35)29-15-8-9-18-19(11-15)31-27(36)30-18/h4-13,28,34H,1-3H3,(H,29,35)(H2,30,31,36) |
| IUPAC name chemrof:IUPAC_name | 2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-4-[2-[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]diazenyl]-3-hydroxy- |
| Molecular formula chemrof:molecular_formula | C27H24N6O7S |
| Molecular mass chemrof:molecular_mass | 576.591 |
| Monoisotopic mass chemrof:monoisotopic_mass | 576.142718 |
| SMILES string chemrof:smiles_string | CNS(=O)(=O)c1cc(OC)c(N=Nc2c(O)c(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc3ccccc23)cc1OC |
Known URLs
6Where 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=12225-08-0 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.032.194 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0065278 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.037E | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/82983 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q81992081 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0c55a71d-3d36-47c1-be51-c5a14fe79e0c | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| cd88e529-508c-416b-a090-a3e69ab2ad88 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 77d64b7f-7a2b-439f-9466-ab9ebe6e8b2d | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 5c0184a8-a20a-4c96-b807-2ee4ca920ac2 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ccb96b0f-e75b-42ca-904f-bc1682676f6b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 4e030e40-059e-4fc8-898f-7c7b9a861273 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| cb2f1037-4f6a-4579-b111-11a1fe7af6d2 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 6c3d7534-e0f9-4bf4-9f64-fd196cac8c82 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 02e4dcd7-03a3-4bcb-bda9-221250476071 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 8ba3bd6d-9dee-49d8-995b-04dab99354b3 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c1eff30f-1f54-47a5-8716-bc6d269a7eb6 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 251da654-fd79-4ddd-8404-52c545ad0fdf | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| a52c883e-7820-4718-ace1-037db3b66464 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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"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": [
"235-426-8"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=235-426-8"
],
"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