Consensus flow list

Identity

Type
Neutral molecule
CAS
34205-21-5
EC
251-879-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
20 across every transformer

Structure

Structure diagram for Dimefuron

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DHWRNDJOGMTCPB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H19ClN4O3/c1-15(2,3)12-18-20(14(22)23-12)11-7-6-9(8-10(11)16)17-13(21)19(4)5/h6-8H,1-5H3,(H,17,21)
IUPAC name chemrof:IUPAC_name 3-[2-Chloro-4-(3,3-dimethylureido)phenyl]-5-tert-butyl-1,3,4-oxadiazolinone
Molecular formula chemrof:molecular_formula C15H19ClN4O3
Molecular mass chemrof:molecular_mass 338.795
Monoisotopic mass chemrof:monoisotopic_mass 338.114568
SMILES string chemrof:smiles_string CN(C)C(O)=Nc1ccc(-n2nc(C(C)(C)C)oc2=O)c(Cl)c1

Known URLs

13

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=34205-21-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81957 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.047.148 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6058059 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1087751 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/39TXE38663 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.108A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18783 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18783 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=78522 enrich_references.pubchem_identifier_url
ppdb ppdb:237 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91612 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q3028190 enrich_references.pubchem_identifier_url

Elementary flows

7
Flow Context Source Unit CFs
fe886aaa55d6637dfb2b30291300b51aeb556d36 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
fdbc5f6aecb407731b6dbbc5830ef5bd43af0429 Environmental → Air → Unknown ecoinvent algorithm addition kg 0
e136d160-8938-4169-871f-7cf4dd8cdc27 Environmental → Ground → Agricultural EF 3.1 kg 0
217756188a22077ad7017d476e67cf2022641e7c Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
993854d16b80859306ebc0fe2485d87e33305dbc Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
efc0ebd21a8807c117cc67c265e033a6d6e2b117 Environmental → Water → Surface water ecoinvent algorithm addition kg 0
c026f8c05c1f5fd1a9e4433e7f1d4aaf17fe0a08 Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (20 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-08b9d0309ae5d343",
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    {
      "@value": "Dimefuron",
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    },
    {
      "@value": "N′-[3-Chloro-4-[5-(1,1-dimethylethyl)-2-oxo-1,3,4-oxadiazol-3(2H)-yl]phenyl]-N,N-dimethylurea",
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          "@id": "https://commonchemistry.cas.org/detail?cas_rn=34205-21-5"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "251-879-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=251-879-4"
      ],
      "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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