Consensus flow list

Chlormadinone Acetate

fo-9549f90aafe2adee

Identity

Type
Neutral molecule
CAS
302-22-7
EC
206-118-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Chlormadinone Acetate

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

Alternative labels

50

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QMBJSIBWORFWQT-DFXBJWIESA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
IUPAC name chemrof:IUPAC_name 17-(Acetyloxy)-6-chloropregna-4,6-diene-3,20-dione
Molecular formula chemrof:molecular_formula C23H29ClO4
Molecular mass chemrof:molecular_mass 404.934
Monoisotopic mass chemrof:monoisotopic_mass 404.175437, 404.17544
SMILES string chemrof:smiles_string CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC21C

Known URLs

22

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=302-22-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31394 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.563 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6020274 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB15903 enrich_references.pubchem_identifier_url
drugcentral drugcentral:600 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/600 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=92338 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL110691 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0SY050L61N enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.478J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C12729 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D01299 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C12729 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D01299 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67578 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C365 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/U3KPLR9481D1 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL110691 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9324 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q5102980 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Chlormadinone_acetate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c0441f9c-4cfe-4c04-865e-c17d8ecb066d Environmental → Air → Aircraft cruise height EF 3.1 kg 0
11716719-ac33-421b-981c-e53b745c91b4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
1b1c6bf6-44fb-40c5-8cf5-b8436a21df97 Environmental → Air → Indoor EF 3.1 kg 0
4f09db67-089e-483d-8815-537a71cc5ece Environmental → Air → Long-term EF 3.1 kg 0
4eb95ba8-cd1a-48ec-9537-17513e3edd6e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
a162bca8-6dd5-4a99-bf84-8ec23fe24f46 Environmental → Air → Unknown EF 3.1 kg 0
c185b947-1a47-4edc-bf34-05bab9c09c9f Environmental → Ground → Agricultural EF 3.1 kg 0
393abc98-ea0c-4c09-801f-4498be90d601 Environmental → Ground → Non-agricultural EF 3.1 kg 0
e0467daa-80b3-4684-b684-4c985c586a79 Environmental → Ground → Unknown EF 3.1 kg 0
7567f2f7-f4a0-4ce6-979b-094dfceffb41 Environmental → Water → Long-term EF 3.1 kg 0
d34d47f5-fc5d-440a-b9ae-8970b0962449 Environmental → Water → Ocean EF 3.1 kg 0
9a90273c-3fe8-4c3b-aa77-b0f79fea3847 Environmental → Water → Surface water EF 3.1 kg 0
6a15db73-1aa1-487f-a725-acfa9e649bca 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 
{
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    {
      "@value": "6-Chloro-6,7-dehydro-17-acetoxyprogesterone",
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      "@value": "6-Chloro-pregna-4,6-dien-17α-ol-3,20-dione acetate",
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      "@value": "6-Chloro-Δ4,6-pregnadien-17α-ol-3,20-dione 17-acetate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-Chloro-Δ6-17-acetoxyprogesterone",
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      }
    },
    {
      "@value": "6-Chloro-Δ6-[17α]acetoxyprogesterone",
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    },
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      "@value": "6-Chloro-Δ6-dehydro-17-acetoxyprogesterone",
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      }
    },
    {
      "@value": "6-Dehydro-6-chloro-17α-acetoxyprogesterone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=302-22-7"
        ],
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      }
    },
    {
      "@value": "Ay 13390-6",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Bellissima",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bovisynchron",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=302-22-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cero",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=302-22-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "chlormadinon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_31394"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "chlormadinon acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_31394"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Chronosyn",
      "@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=302-22-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Clordion",
      "@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=302-22-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclonorm",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fertiletten",
      "@language": "en",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=302-22-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Gestafortin",
      "@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=302-22-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lormin",
      "@language": "en",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=302-22-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Luteran",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lutinyl",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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