Consensus flow list

Identity

Type
Neutral molecule
CAS
76199-85-4
EC
278-388-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-cyano-n-methyl-2-[3-(2,4,6-trioxotetrahydropyrimidin-5(2h)-ylidene)-2,3-dihydro-1h-isoindol-1-ylidene]acetamide

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ACUPDOXCXXCPIX-UHFFFAOYSA-N, SNZMGUPMUOWIDP-LUAWRHEFSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H11N5O4/c1-18-13(22)9(6-17)11-7-4-2-3-5-8(7)12(19-11)10-14(23)20-16(25)21-15(10)24/h2-5,19H,1H3,(H,18,22)(H2,20,21,23,24,25)
IUPAC name chemrof:IUPAC_name 2-cyano-n-methyl-2-[3-(2,4,6-trioxotetrahydropyrimidin-5(2h)-ylidene)-2,3-dihydro-1h-isoindol-1-ylidene]acetamide
Molecular formula chemrof:molecular_formula C16H11N5O4
SMILES string chemrof:smiles_string CNC(=O)C(C#N)=c1[nH]c(=C2C(=O)NC(=O)NC2=O)c2ccccc12

Known URLs

9

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=76199-85-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.071.241 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7072836 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7CF7E3AUE4 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.958.308K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/166483 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3037059 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126609254 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pigment_yellow_185 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ee82b086-4c70-4d7f-8033-58318c997ad7 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a7eeed22-819b-4de4-8b0b-99ffbfdfbe5d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f132e6f4-35d2-47fd-955f-b04913bbdf93 Environmental → Air → Indoor EF 3.1 kg 4
36fa25af-639b-4f70-a439-8767ac8aea10 Environmental → Air → Long-term EF 3.1 kg 0
7350dde1-5585-43c4-9daf-33a8229d78f9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
35a6d56a-d902-4942-b68d-c5d876a840d2 Environmental → Air → Unknown EF 3.1 kg 4
5ec747a7-064c-4c6c-b80a-90972c83d9c6 Environmental → Ground → Agricultural EF 3.1 kg 4
6fdbb7e8-2399-4d83-94db-47b33f108802 Environmental → Ground → Non-agricultural EF 3.1 kg 4
0e2728f4-5e33-4434-81c0-df0f9d084a82 Environmental → Ground → Unknown EF 3.1 kg 4
c73ec64e-d212-49d8-b906-f1cd5dac94a5 Environmental → Water → Long-term EF 3.1 kg 0
0adeca99-3d2e-4b68-8478-53b4e64a992a Environmental → Water → Ocean EF 3.1 kg 4
18a6e062-c97a-4aae-8af9-039b8eaf9cbe Environmental → Water → Surface water EF 3.1 kg 4
30953c9a-fe6d-4bbc-accf-789e8c77e899 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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        "278-388-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=278-388-8"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "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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