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CHEBI:31394 - Chlormadinone acetate

ChEBI IDCHEBI:31394
ChEBI NameChlormadinone acetate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC23H29ClO4
Net Charge0
Average Mass404.934
Monoisotopic Mass404.17544
SMILES[H][C@@]12C=C(Cl)C3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(OC(C)=O)C(C)=O
InChIInChI=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
InChIKeyQMBJSIBWORFWQT-DFXBJWIESA-N
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
Chlormadinone acetate (CHEBI:31394) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
Chlormadinone acetateKEGG COMPOUND
chlormadinon acetateDrugCentral
chlormadinonDrugCentral
chlormadinone acetateDrugCentral
menstridylDrugCentral
Manual XrefsDatabases
C12729KEGG COMPOUND
D01299KEGG DRUG
600DrugCentral
Registry NumbersSources
CAS:302-22-7KEGG COMPOUND