Consensus flow list

2,2'-[ethylenebis(oxyphenyl-2,1-eneazo)]bis[n-(2,3-dihydro-2-oxo-1h-benzimidazol-5-yl)-3-oxobutyramide

fo-c01dc9c43fc408a1

Identity

Type
NeutralMolecule
CAS
77804-81-0
EC
278-770-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,2'-[ethylenebis(oxyphenyl-2,1-eneazo)]bis[n-(2,3-dihydro-2-oxo-1h-benzimidazol-5-yl)-3-oxobutyramide

Alternative labels

38

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PUNNQKXGKNOLTB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C36H32N10O8/c1-19(47)31(33(49)37-21-11-13-23-27(17-21)41-35(51)39-23)45-43-25-7-3-5-9-29(25)53-15-16-54-30-10-6-4-8-26(30)44-46-32(20(2)48)34(50)38-22-12-14-24-28(18-22)42-36(52)40-24/h3-14,17-18,31-32H,15-16H2,1-2H3,(H,37,49)(H,38,50)(H2,39,41,51)(H2,40,42,52)
IUPAC name chemrof:IUPAC_name 2,2′-[1,2-Ethanediylbis(oxy-2,1-phenylene-2,1-diazenediyl)]bis[N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutanamide]
Molecular formula chemrof:molecular_formula C36H32N10O8
Molecular mass chemrof:molecular_mass 732.714
Monoisotopic mass chemrof:monoisotopic_mass 732.240458
SMILES string chemrof:smiles_string CC(=O)C(N=Nc1ccccc1OCCOc1ccccc1N=NC(C(C)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1

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=77804-81-0 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2052520 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V05FA9PR1F enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.036F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/166497 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126609257 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c0761ef0-34b1-4e9c-bb3c-77e6eeba6dac Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e4905c3a-b537-4803-9ea5-d2aa58292a44 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2601597f-3258-4307-9c76-390575f85e0d Environmental → Air → Indoor EF 3.1 kg 4
3033e83d-083b-4587-9ba6-0b2b360a6cf8 Environmental → Air → Long-term EF 3.1 kg 0
c79fab14-f4e4-432c-8c4e-63849c4a0e29 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
70a5d1f8-1aea-4e2e-8c0a-0bcd7a8a62bd Environmental → Air → Unknown EF 3.1 kg 4
afff25f6-3480-422f-b2c6-d31d9b9ae96f Environmental → Ground → Agricultural EF 3.1 kg 4
ae162a28-a242-4dd4-bb85-96765db1863e Environmental → Ground → Non-agricultural EF 3.1 kg 4
d96014cb-70bb-415a-aa9c-515ddc51bf6a Environmental → Ground → Unknown EF 3.1 kg 4
e0002c5c-6cfa-414c-b14e-b7b4d2e76ea7 Environmental → Water → Long-term EF 3.1 kg 0
7563ec13-d8e7-4498-9cd1-166d52afa121 Environmental → Water → Ocean EF 3.1 kg 4
1f570a6c-12d4-4b85-b780-9e7a06cf642c Environmental → Water → Surface water EF 3.1 kg 4
2d78b721-1159-4706-a18d-392f6c84abe7 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 
{
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    {
      "@value": "2,2'-[ethylenebis(oxyphenyl-2,1-eneazo)]bis[n-(2,3-dihydro-2-oxo-1h-benzimidazol-5-yl)-3-oxobutyramide",
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    }
  ],
  "altLabel": [
    {
      "@value": "2,2′-[1,2-Ethanediylbis(oxy-2,1-phenylene-2,1-diazenediyl)]bis[N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutanamide]",
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