Consensus flow list

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

Structure diagram for 4-{[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl}-3-hydroxy-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-2-naphthamide

Alternative labels

10

Properties

PropertyValue
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

6

Where 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.org 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)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-934151313b66de8e",
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          "@id": "https://commonchemistry.cas.org/detail?cas_rn=12225-08-0"
        }
      ],
      "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": [
        "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"
  ]
}

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