Brightway Flows 1.0
GitHub

Ketoprofen

fo-6dc50358110479ef

Identity

Type
Neutral molecule
CAS
22071-15-4
EC
244-759-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Ketoprofen

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

62

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DKYWVDODHFEZIM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
IUPAC name chemrof:IUPAC_name Ketoprofen
Molecular formula chemrof:molecular_formula C16H14O3
Molecular mass chemrof:molecular_mass 254.285
Monoisotopic mass chemrof:monoisotopic_mass 254.09429, 254.094294
SMILES string chemrof:smiles_string CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1

Known URLs

32

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=22071-15-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6128 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.040.676 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6020771 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01009 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01009 enrich_references.pubchem_identifier_url
drugcentral drugcentral:1528 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/1528 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758144 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL571 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/90Y4QC304K enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0015144 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.468A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C01716 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00132 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C01716 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00132 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-1955 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=143005 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47578 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA450149 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/S3228AZ73B9C enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL571 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3825 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=196274 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11452775 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12772856 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18969772 enrich_references.chebi_xrefs
reaxys reaxys:2216071 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/6142 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q409192 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ketoprofen enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
3d9f3239-558a-46b8-9d33-88348dce36de Environmental → Air → Aircraft cruise height EF 3.1 kg 0
68a6096b-8e0f-4eec-8482-171834d970ee Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
cd49ce95-f32d-4a7b-a61a-9aeb05cfb5ae Environmental → Air → Indoor EF 3.1 kg 0
c686b27d-70d1-4559-a7bb-8024291dee9b Environmental → Air → Long-term EF 3.1 kg 0
d9c16dc3-052c-47f3-be66-8d2531e21c34 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
c7abd07c-9db5-4525-92c5-43b862e3d937 Environmental → Air → Unknown EF 3.1 kg 0
5e7352fc-c1be-4440-b28b-0aa0eecae1fa Environmental → Ground → Agricultural EF 3.1 kg 0
59084ff9-c222-4fba-8516-9123cf00007d Environmental → Ground → Non-agricultural EF 3.1 kg 0
576d3805-fba1-4674-8bd4-807c624fceaa Environmental → Ground → Unknown EF 3.1 kg 0
476055b5-3e24-4380-b853-8456b7a4cbac Environmental → Water → Long-term EF 3.1 kg 0
37fa0d0a-1e0d-45ad-b5cb-198bcb472159 Environmental → Water → Ocean EF 3.1 kg 0
30941f32-eb5d-4eb7-9faf-80adceb9b69a Environmental → Water → Surface water EF 3.1 kg 0
03eb4fd5-73c1-4a60-ba0d-54f358991336 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-6dc50358110479ef",
  "prefLabel": [
    {
      "@value": "Ketoprofen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
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    {
      "@value": "(±)-Ketoprofen",
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    {
      "@value": "(±)-m-Benzoylhydratropic acid",
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    },
    {
      "@value": "2-(3-benzoylphenyl)propanoic acid",
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      "@value": "2-(3-Benzoylphenyl)propionic acid",
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    {
      "@value": "2-(m-Benzoylphenyl)propionic acid",
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    },
    {
      "@value": "3-Benzoyl-alpha-methylbenzeneacetic acid",
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    },
    {
      "@value": "3-Benzoyl-α-methylbenzeneacetic acid",
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      }
    },
    {
      "@value": "3-Benzoylhydratropic acid",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Actron Ketoprofen",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Alrheumat",
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      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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    },
    {
      "@value": "Alrheumun",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aneol",
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        ],
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      }
    },
    {
      "@value": "Benzeneacetic acid, 3-benzoyl-α-methyl-",
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      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bi-profenid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=22071-15-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Capisten",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Comforion",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dexal",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Doloket",
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      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=22071-15-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Epatec",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fastum",
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          "https://commonchemistry.cas.org/detail?cas_rn=22071-15-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Febrofen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=22071-15-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hydratropic acid, m-benzoyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "CAS:22071-15-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=22071-15-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Iso-K",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=22071-15-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kefenid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=22071-15-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ketonal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=22071-15-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "KetoproBAG",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ketoprofene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=22071-15-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ketopron",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ketoprophen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ketorin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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