Consensus flow list

Butyl 2-({2-hydroxy-3-[(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)carbamoyl]-1-naphthyl}diazenyl)benzoate

fo-d3ff0c95c7d8c31f

Identity

Type
Neutral molecule
CAS
31778-10-6
EC
250-800-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Butyl 2-({2-hydroxy-3-[(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)carbamoyl]-1-naphthyl}diazenyl)benzoate

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OFVRAFISISJRPV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C29H25N5O5/c1-2-3-14-39-28(37)20-10-6-7-11-22(20)33-34-25-19-9-5-4-8-17(19)15-21(26(25)35)27(36)30-18-12-13-23-24(16-18)32-29(38)31-23/h4-13,15-16,35H,2-3,14H2,1H3,(H,30,36)(H2,31,32,38)
IUPAC name chemrof:IUPAC_name Butyl 2-({2-hydroxy-3-[(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)carbamoyl]-1-naphthyl}diazenyl)benzoate
Molecular formula chemrof:molecular_formula C29H25N5O5
Molecular mass chemrof:molecular_mass 523.549
Monoisotopic mass chemrof:monoisotopic_mass 523.185569
SMILES string chemrof:smiles_string CCCCOC(=O)c1ccccc1N=Nc1c(O)c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc2ccccc12

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=31778-10-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.046.167 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9067645 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.040E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/161725 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72499624 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8af865fa-b48d-4a3a-805d-454502f35970 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
67f1c904-d4ec-465b-bcb2-df7366d81ee0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c6ce4ca8-46ee-4b60-9a04-6321e53792a8 Environmental → Air → Indoor EF 3.1 kg 4
e52563e3-69a8-49d3-92a5-0c38072d1c89 Environmental → Air → Long-term EF 3.1 kg 0
cd3701fa-35a7-4f3d-a70a-3f0ac6a0a5aa Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
68948261-83f3-44f2-b515-f6d954210e6a Environmental → Air → Unknown EF 3.1 kg 4
16b9a9fc-9002-44e3-a931-fa84edbff63f Environmental → Ground → Agricultural EF 3.1 kg 4
af51e1b5-59bc-444e-9861-e850df3d4669 Environmental → Ground → Non-agricultural EF 3.1 kg 4
69e151d7-c221-47c1-bc45-4de21f656ca0 Environmental → Ground → Unknown EF 3.1 kg 4
d0d96193-7bac-431d-9b82-c71cedad2bba Environmental → Water → Long-term EF 3.1 kg 0
cccab6f0-10cf-46de-9bb8-a966814a57bd Environmental → Water → Ocean EF 3.1 kg 4
4fb9cf23-574a-4dce-9364-0e8769f8a263 Environmental → Water → Surface water EF 3.1 kg 4
12d1c505-c451-40b7-9c09-809e08104190 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 
{
  "flow_object_id": "fo-d3ff0c95c7d8c31f",
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    {
      "@value": "Butyl 2-({2-hydroxy-3-[(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)carbamoyl]-1-naphthyl}diazenyl)benzoate",
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  ],
  "altLabel": [
    {
      "@value": "5-[4-[o-(Butoxycarbonyl)phenylazo]-3-hydroxy-2-naphthamido]-2-benzimidazolinone",
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      "@value": "Benzoic acid, 2-[2-[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]diazenyl]-, butyl ester",
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    {
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    },
    {
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