Consensus flow list

Identity

Type
Neutral molecule
CAS
90-49-3
EC
201-998-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Pheneturide

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string AJOQSQHYDOFIOX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H14N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,14,15)
IUPAC name chemrof:IUPAC_name (2-Phenylbutanoyl)urea
Molecular formula chemrof:molecular_formula C11H14N2O2
Molecular mass chemrof:molecular_mass 206.245
Monoisotopic mass chemrof:monoisotopic_mass 206.105528, 206.10553
SMILES string chemrof:smiles_string CCC(C(=O)NC(N)=O)c1ccccc1

Known URLs

21

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=90-49-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31989 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.817 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4020612 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB13362 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2125 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2125 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2107062 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/878CEJ4HGX enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256403 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.320F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C12590 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D01190 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C12590 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D01190 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67865 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C72826 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL2107062 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/72060 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q7181340 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pheneturide enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
decf04a4-66cb-4b59-b2bc-1f1cb1866ebb Environmental → Air → Aircraft cruise height EF 3.1 kg 0
4598bb17-a376-4a85-88b1-a974b376e8b6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
0be5d673-2e82-4c13-93e9-03f41803dba6 Environmental → Air → Indoor EF 3.1 kg 0
0698f45d-e171-49a3-b63e-cade5edbd819 Environmental → Air → Long-term EF 3.1 kg 0
5cc50666-5f04-40c7-8c3f-6634dd563d4c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
691398cc-5e54-47b3-862d-879668709a03 Environmental → Air → Unknown EF 3.1 kg 0
4813f460-323d-43f7-ab83-89fbedaa2eb1 Environmental → Ground → Agricultural EF 3.1 kg 0
a8b3a059-2542-4deb-9658-64c03ce669ef Environmental → Ground → Non-agricultural EF 3.1 kg 0
612d21fb-3c24-499f-ad7e-b34d61a55539 Environmental → Ground → Unknown EF 3.1 kg 0
1af9b82d-1748-48a1-8382-5b0d84b9366a Environmental → Water → Long-term EF 3.1 kg 0
5a4a3c62-d1d9-4d92-b12b-fe1648d901ea Environmental → Water → Ocean EF 3.1 kg 0
132deb9d-4924-4b99-8913-2427dcc3385a Environmental → Water → Surface water EF 3.1 kg 0
25687c3d-312a-4d91-ad7d-d575cda95485 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-82f42f62d4726ebe",
  "prefLabel": [
    {
      "@value": "Pheneturide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:90-49-3",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2-Phenylbutanoyl)urea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-49-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-[(Ethyl)phenylacetyl]urea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-49-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Phenyl-2-ethyl acetyl urea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=90-49-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Phenylbutyrylurea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-49-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benuride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-49-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzeneacetamide, N-(aminocarbonyl)-α-ethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=90-49-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "dl-Pheneturide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-49-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "EPA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=90-49-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ethyl phenacemide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ethylphenacemide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "ethylphenylacetylurea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Lircapyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(Aminocarbonyl)-α-ethylbenzeneacetamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(α-Phenylbutyryl)urea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=90-49-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "PBU",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=90-49-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "phenuride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "phenylethylacetylurea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Urea, (2-phenylbutyryl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=90-49-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-Phenyl-α-ethylacetylurea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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        "C11H14N2O2"
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      },
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        },
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    },
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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    },
    "https://w3id.org/chemrof/elemental_charge": {
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      "@value": [
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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