Consensus flow list

Antipyrine

fo-05d1c9ed91da5039

Identity

Type
Neutral molecule
CAS
60-80-0
EC
200-486-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for Antipyrine

What it is used for

1

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI

Alternative labels

36

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VEQOALNAAJBPNY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
IUPAC name chemrof:IUPAC_name 1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
Molecular formula chemrof:molecular_formula C11H12N2O
Molecular mass chemrof:molecular_mass 188.23
Monoisotopic mass chemrof:monoisotopic_mass 188.09496, 188.094963
SMILES string chemrof:smiles_string Cc1cc(=O)n(-c2ccccc2)n1C

Known URLs

38

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=60-80-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31225 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.442 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0376 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6021117 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01435 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01435 enrich_references.pubchem_identifier_url
drugcentral drugcentral:861 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/861 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=755874 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7945 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL277474 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/T3CHA1B51H enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0015503 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2933.11.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.340J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C13244 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D01776 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C13244 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D01776 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-3038 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43561 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76794 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA448453 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/7WY76MHB5MMB enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL277474 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2206 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020293 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24345239 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25038548 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25435228 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25631541 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26703262 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3425858 enrich_references.chebi_xrefs
reaxys reaxys:157775 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q415578 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Antipyrine enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Phenazone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d86c88d9-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
4d9a8790-3ddd-11dd-966c-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
17bfc019-94e5-410f-9c8c-8b4872a89245 Environmental → Air → Indoor EF 3.1 kg 6
4d9a8790-3ddd-11dd-966b-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-966d-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
4d9a8790-3ddd-11dd-966a-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
4d9a8790-3ddd-11dd-9668-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
4d9a8790-3ddd-11dd-9671-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
4d9a8790-3ddd-11dd-9669-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
4d9a8790-3ddd-11dd-966f-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9672-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
4d9a8790-3ddd-11dd-966e-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
4d9a8790-3ddd-11dd-9670-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-05d1c9ed91da5039",
  "prefLabel": [
    {
      "@value": "Antipyrine",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one",
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    },
    {
      "@value": "1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",
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      }
    },
    {
      "@value": "1,5-Dimethyl-2-phenyl-1,2-dihydropyrazol-3-one",
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      "provenance": {
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    },
    {
      "@value": "1,5-Dimethyl-2-phenyl-1H-pyrazol-3(2H)-one",
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    },
    {
      "@value": "1,5-Dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one",
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    },
    {
      "@value": "1,5-Dimethyl-2-phenylpyrazol-3-one",
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    },
    {
      "@value": "1-Phenyl-2,3-dimethyl-5-pyrazolone",
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      }
    },
    {
      "@value": "2,3-Dimethyl-1-phenyl-3-pyrazolin-5-one",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "2,3-Dimethyl-1-phenyl-5-pyrazolone",
      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Analgesin",
      "@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": "Analgesine",
      "@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=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Anodynin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-80-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Anodynine",
      "@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=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Antipirin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-80-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Antipyrin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-80-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Apirelina",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-80-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Azophen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-80-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Azophene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-80-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dentigoa N",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-80-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethyloxychinizin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-80-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethyloxyquinazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-80-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Eu-Med mono",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-80-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "fenazona",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_31225"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Fenazone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-80-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D000983",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-80-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methozin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-80-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Oxydimethylquinazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-80-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Parodyne",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-80-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenazone (pharmaceutical)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-80-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "phenazonum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_31225"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Phenylon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-80-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-80-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
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