Consensus flow list

Oxymetholone

fo-6f291c26967af6d6

Identity

Type
Neutral molecule
CAS
434-07-1
EC
207-098-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Oxymetholone

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

42

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ICMWWNHDUZJFDW-IYRCEVNGSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@]12CC(=CO)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
IUPAC name chemrof:IUPAC_name (5alpha,17beta)-17-hydroxy-2-(hydroxymethylidene)-17-methylandrostan-3-one
Molecular formula chemrof:molecular_formula C21H32O3
Molecular mass chemrof:molecular_mass 332.484
Monoisotopic mass chemrof:monoisotopic_mass 332.23514, 332.235145
SMILES string chemrof:smiles_string CC12CC(=CO)C(=O)CC1CCC1C2CCC2(C)C1CCC2(C)O

Known URLs

28

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=434-07-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:7864 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.454 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5023794 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB06412 enrich_references.pubchem_identifier_url
drugcentral.org https://drugcentral.org/drugcard/2033 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1200585 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1578149 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L76T0ZCA8K enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.043E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07393 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00490 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07393 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00490 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=143626 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=198496 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C723 enrich_references.pubchem_identifier_url
patent patent:DE1070632 enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/LFAKFU7NXZMS enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1200585 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5281034 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11071398 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1125426 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11440282 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21860526 enrich_references.chebi_xrefs
reaxys reaxys:2623806 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q420864 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Oxymetholone enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
3578237f-9736-41cc-bcaa-4b0418cf4da7 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3b96cd3d-fc9d-4319-b48d-85572232cd56 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f852488d-6d54-41d7-8e19-04bdf00d48e7 Environmental → Air → Indoor EF 3.1 kg 2
bb0162f8-a1c0-47fe-9cde-f271a8fe2cad Environmental → Air → Long-term EF 3.1 kg 0
1f1087c8-3508-444e-ad4f-9da15082a760 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
13e20453-bee2-439b-94f6-729248e5366a Environmental → Air → Unknown EF 3.1 kg 2
6b554fef-a1e8-485e-80a6-acc4020ee0ae Environmental → Ground → Agricultural EF 3.1 kg 2
c24db8a8-ff96-4dcf-94bd-931302d34dfb Environmental → Ground → Non-agricultural EF 3.1 kg 2
2229ec16-e9d1-42e6-a3db-dfbabde03e13 Environmental → Ground → Unknown EF 3.1 kg 2
16a45ae1-9334-4055-a558-db0fedd38cc6 Environmental → Water → Long-term EF 3.1 kg 0
8a27e60f-8618-447f-879c-c04bfa51ece9 Environmental → Water → Ocean EF 3.1 kg 2
c61104fa-3e1b-42d4-8eb5-11c6ddf9cc43 Environmental → Water → Surface water EF 3.1 kg 2
7624c6c3-2b56-41e7-9485-bdb089194526 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-6f291c26967af6d6",
  "prefLabel": [
    {
      "@value": "Oxymetholone",
      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "(5alpha,17beta)-17-hydroxy-2-(hydroxymethylidene)-17-methylandrostan-3-one",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(5α,17β)-17-Hydroxy-2-(hydroxymethylene)-17-methylandrostan-3-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
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    {
      "@value": "17alpha-methyl-2-hydroxymethylene-17-hydroxy-5alpha-androstan-3-one",
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    {
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    },
    {
      "@value": "2-(Hydroxymethylene)-17-methyldihydrotestosterone",
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      }
    },
    {
      "@value": "2-hydroxymethylene-17alpha-methyl-17beta-hydroxy-5alpha-androstan-3-one",
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    },
    {
      "@value": "2-hydroxymethylene-17alpha-methyl-5alpha-androstan-17beta-ol-3-one",
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      }
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    {
      "@value": "2-Hydroxymethylene-17α-methylandrostan-17β-ol-3-one",
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        ],
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      }
    },
    {
      "@value": "2-Hydroxymethylene-17β-hydroxy-17α-methyl-5α-androstan-3-one",
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          "https://commonchemistry.cas.org/detail?cas_rn=434-07-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,5alpha-dihydro-2-hydroxymethylene-17alpha-methyltestosterone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "5α-Androstan-3-one, 17β-hydroxy-2-(hydroxymethylene)-17-methyl-",
      "@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=434-07-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adroyd",
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      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_7864"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Anadrol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:434-07-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=434-07-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Anadrol-50",
      "@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_7864"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Anapolan 50",
      "@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=434-07-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Anapolon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_7864"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Anasteron",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:434-07-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=434-07-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Anasteronal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:434-07-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=434-07-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Anasterone",
      "@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=434-07-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Androstan-3-one, 17-hydroxy-2-(hydroxymethylene)-17-methyl-, (5α,17β)-",
      "@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=434-07-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Becorel",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=434-07-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C.I. 406",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=434-07-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hemogenin",
      "@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=434-07-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "HMD",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D010110",
      "@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": "Nastenon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "oximetolona",
      "@language": "en",
      "@lang": "en",
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