Consensus flow list

Methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-({2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl}diazenyl)benzoate

fo-3cdf8ce7a1415494

Identity

Type
Neutral molecule
CAS
61847-48-1
EC
263-272-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-({2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl}diazenyl)benzoate

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MERWBGHMSXDWBM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C33H24Cl2N4O6/c1-44-28-10-6-5-9-25(28)36-32(42)23-15-18-7-3-4-8-21(18)29(30(23)40)39-38-26-16-19(11-13-22(26)33(43)45-2)31(41)37-27-17-20(34)12-14-24(27)35/h3-17,40H,1-2H3,(H,36,42)(H,37,41)
IUPAC name chemrof:IUPAC_name Methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-({2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl}diazenyl)benzoate
Molecular formula chemrof:molecular_formula C33H24Cl2N4O6
Molecular mass chemrof:molecular_mass 643.483
Monoisotopic mass chemrof:monoisotopic_mass 642.10729
SMILES string chemrof:smiles_string COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1N=Nc1c(O)c(C(=O)Nc2ccccc2OC)cc2ccccc12

Known URLs

8

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=61847-48-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.057.502 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30860770 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7042148 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5V584VK0LH enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J93.896C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62195 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126615237 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1625772e-0c30-4691-87a7-c0370d398005 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b6b1f9d0-2a12-419e-aaeb-f18c79b5afb6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
d39d26fe-4ea9-473b-83c6-b690e1876923 Environmental → Air → Indoor EF 3.1 kg 4
56e449d2-9931-448e-b3ec-a062fa77defe Environmental → Air → Long-term EF 3.1 kg 0
0b6e3b0d-e03d-45bd-8f40-1b9484dde63c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9e1658e1-8957-4141-9488-337fd2210247 Environmental → Air → Unknown EF 3.1 kg 4
22285ad8-e64f-43ca-8495-59062534ba87 Environmental → Ground → Agricultural EF 3.1 kg 4
17b65a7d-8d58-47f1-8647-eafb34a8240c Environmental → Ground → Non-agricultural EF 3.1 kg 4
356ec548-98a1-49db-96a8-2b67492b1d8a Environmental → Ground → Unknown EF 3.1 kg 4
6f0d4408-5d54-4228-9f0e-48d0f77db5e4 Environmental → Water → Long-term EF 3.1 kg 0
c949f36e-05dc-4f84-b55c-ca0f6011b767 Environmental → Water → Ocean EF 3.1 kg 4
54e9edd1-2ae2-4295-8ba5-8e4f6b42feb3 Environmental → Water → Surface water EF 3.1 kg 4
7ad15f3d-2496-40dd-8fd9-9e5625e4d17e Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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          "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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