Consensus flow list

4-({5-[(4-carbamoylphenyl)carbamoyl]-2-methoxyphenyl}diazenyl)-n-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthamide

fo-b256e6ce1b4b1c05

Identity

Type
NeutralMolecule
CAS
59487-23-9
EC
261-785-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-({5-[(4-carbamoylphenyl)carbamoyl]-2-methoxyphenyl}diazenyl)-n-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthamide

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DZYFEMTUCDZMSP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C34H28ClN5O7/c1-45-27-13-10-20(33(43)37-21-11-8-18(9-12-21)32(36)42)15-26(27)39-40-30-22-7-5-4-6-19(22)14-23(31(30)41)34(44)38-25-16-24(35)28(46-2)17-29(25)47-3/h4-17,41H,1-3H3,(H2,36,42)(H,37,43)(H,38,44)
IUPAC name chemrof:IUPAC_name 2-Naphthalenecarboxamide, 4-[2-[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]diazenyl]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-
Molecular formula chemrof:molecular_formula C34H28ClN5O7
Molecular mass chemrof:molecular_mass 654.079
Monoisotopic mass chemrof:monoisotopic_mass 653.167726
SMILES string chemrof:smiles_string COc1cc(OC)c(NC(=O)c2cc3ccccc3c(N=Nc3cc(C(=O)Nc4ccc(C(N)=O)cc4)ccc3OC)c2O)cc1Cl

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=59487-23-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.056.150 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4041733 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J93.898J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62154 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126615235 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a24c5e74-06cf-4a97-b268-cf3bcd5ccdb6 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
01ed112b-c0ea-467c-96da-a2e1bc0aa1dc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
64c9ca57-fd19-451c-835b-3cbae87e6ecc Environmental → Air → Indoor EF 3.1 kg 4
4d10449b-88d9-46b1-971f-e499863c541b Environmental → Air → Long-term EF 3.1 kg 0
0ffce541-19a1-485d-9a76-20feee07b228 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ed3464b8-5208-4d40-9324-146d804dd14f Environmental → Air → Unknown EF 3.1 kg 4
39d0fe12-a266-4b8a-876f-26526631947c Environmental → Ground → Agricultural EF 3.1 kg 4
9baee3ce-b4a9-4a37-8bc6-c92aeeec546e Environmental → Ground → Non-agricultural EF 3.1 kg 4
54caaa71-2659-4322-807d-f4af673d3239 Environmental → Ground → Unknown EF 3.1 kg 4
7f46de30-85df-4e99-a368-06d80cb4b7cd Environmental → Water → Long-term EF 3.1 kg 0
8cd5150f-9f11-485e-8c41-78c7f38b904c Environmental → Water → Ocean EF 3.1 kg 4
07c7bb0d-2a3e-4197-8d4c-d5e69f561d83 Environmental → Water → Surface water EF 3.1 kg 4
206a00b5-0b51-4ead-bd0b-ee622085bd74 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-b256e6ce1b4b1c05",
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    {
      "@value": "4-({5-[(4-carbamoylphenyl)carbamoyl]-2-methoxyphenyl}diazenyl)-n-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthamide",
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        "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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