Consensus flow list

Identity

Type
Neutral molecule
CAS
82199-12-0
EC
279-914-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-[(2-methoxyphenyl)diazenyl]-3-oxo-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)butanamide

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BWCSCOGVOJAQRL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H17N5O4/c1-10(24)16(23-22-13-5-3-4-6-15(13)27-2)17(25)19-11-7-8-12-14(9-11)21-18(26)20-12/h3-9,16H,1-2H3,(H,19,25)(H2,20,21,26)
IUPAC name chemrof:IUPAC_name N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[2-(2-methoxyphenyl)diazenyl]-3-oxobutanamide
Molecular formula chemrof:molecular_formula C18H17N5O4
Molecular mass chemrof:molecular_mass 367.365
Monoisotopic mass chemrof:monoisotopic_mass 367.128054
SMILES string chemrof:smiles_string COc1ccccc1N=NC(C(C)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1

Known URLs

7

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=82199-12-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.072.628 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90868651 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0XY8B09591 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J320.377H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/174265 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126609387 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7e73f529-6aec-4432-b0be-ba5acd21d05a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
9517f8ec-ffa7-4684-be51-0e340f0e5c4d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1a69349e-ed32-4198-be4a-f4090d0114b6 Environmental → Air → Indoor EF 3.1 kg 4
fe674724-e7dd-4e7b-bbf4-6593e81a6a7a Environmental → Air → Long-term EF 3.1 kg 0
f8960519-81f5-440b-9501-5c57ff740239 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
71a3ef6a-7437-45c1-b3ff-0226b6ea9c12 Environmental → Air → Unknown EF 3.1 kg 4
5e9c6426-64a1-41d7-bcf2-62c090117c2f Environmental → Ground → Agricultural EF 3.1 kg 4
bf7c3644-8585-472d-a92d-d4d1c0dd4f7a Environmental → Ground → Non-agricultural EF 3.1 kg 4
1b23dfe4-8e10-459f-aaff-7b8f920f08b0 Environmental → Ground → Unknown EF 3.1 kg 4
f87e8b88-b2d1-4222-a687-5ae0ff94ffa3 Environmental → Water → Long-term EF 3.1 kg 0
72998133-a394-48f9-8ad3-5416497d3b16 Environmental → Water → Ocean EF 3.1 kg 4
64073ddc-92ac-4ebb-a5b3-221aa3e3e7a8 Environmental → Water → Surface water EF 3.1 kg 4
d8d391fb-b5a9-46bb-a584-07d1d8f4abec 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-f07a10adc2981acd",
  "prefLabel": [
    {
      "@value": "2-[(2-methoxyphenyl)diazenyl]-3-oxo-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)butanamide",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[(2-methoxyphenyl)azo]-3-oxo-",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[2-(2-methoxyphenyl)diazenyl]-3-oxo-",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "C.I. Pigment Yellow 194",
      "@language": "en",
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    },
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "references": [
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}

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