Consensus flow list

Identity

Type
Neutral molecule
CAS
50-33-9
EC
200-029-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Phenylbutazone

Alternative labels

71

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VYMDGNCVAMGZFE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
IUPAC name chemrof:IUPAC_name 3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine
Molecular formula chemrof:molecular_formula C19H20N2O2
Molecular mass chemrof:molecular_mass 308.381
Monoisotopic mass chemrof:monoisotopic_mass 308.152478, 308.15248
SMILES string chemrof:smiles_string CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

Known URLs

51

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=50-33-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:48574 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.027 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9021136 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00812 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00812 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2145 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2145 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=25134 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757272 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL101 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GN5P7K3T8S enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014950 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J792G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07440 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00510 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07440 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00510 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-2219 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43103 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C66377 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:P1Z enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA450932 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/LL6B7PDX34DR enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL101 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4781 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2811 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=337902 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11264893 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12692637 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/13010905 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/13048452 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/13747451 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19614844 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20176071 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21668837 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22082440 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22180948 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22245664 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23369749 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23525812 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25287371 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26090772 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26808199 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3425858 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7655439 enrich_references.chebi_xrefs
reaxys reaxys:290080 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/8160 enrich_references.pubchem_identifier_url
vsdb vsdb:1775 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q421342 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phenylbutazone enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
d86c61c9-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe0acd60-3ddc-11dd-9f9f-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0dd481e9-4c2a-46e1-89e6-49127385af9c Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-9f9e-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-9fa0-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-9f9d-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-a02f-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-9fa4-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-9f9c-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-9fa2-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-9fa5-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
fe0acd60-3ddc-11dd-9fa1-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
fe0acd60-3ddc-11dd-9fa3-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a60f85a2aa915534",
  "prefLabel": [
    {
      "@value": "Phenylbutazone",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Diphenyl-3,5-dioxo-4-butylpyrazolidine",
      "@language": "en",
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    },
    {
      "@value": "1,2-Diphenyl-3,5-dioxo-4-n-butylpyrazolidine",
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    },
    {
      "@value": "1,2-Diphenyl-4-butyl-3,5-pyrazolidinedione",
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    },
    {
      "@value": "3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine",
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      }
    },
    {
      "@value": "3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-",
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    },
    {
      "@value": "4-Butyl-1,2-diphenyl-3,5-dioxopyrazolidine",
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      }
    },
    {
      "@value": "4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-butyl-1,2-diphenylpyrazolidine-3,5-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-n-Butyl-1,2-diphenyl-3,5-pyrazolidinedione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_48574"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Alindor",
      "@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=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Alkazone",
      "@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=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Antadol",
      "@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=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Anuspiramin",
      "@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=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Arthrizon",
      "@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=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Artrizin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:50-33-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Artropan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:50-33-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Azolid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:50-33-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzone",
      "@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=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Betazed",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:50-33-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bunetzone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:50-33-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butacote",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:50-33-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butadion",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:50-33-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butadione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:50-33-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butalidon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:50-33-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butapirazol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:50-33-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butapirazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:50-33-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butartrina",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:50-33-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butatron",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:50-33-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butazina",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:50-33-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-33-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butazolidin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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