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CHEBI:6716 - medroxyprogesterone acetate

Default Structure
ChEBI IDCHEBI:6716
ChEBI Namemedroxyprogesterone acetate
Stars
DefinitionAn acetate ester resulting from the formal condensation of the 17α-hydroxy group of medroxyprogesterone with the carboxy group of acetic acid. A widely used progestin in menopausal hormone therapy and in progestogen-only birth control.
Secondary ChEBI IDCHEBI:145457
Last Modified22 January 2020
Submittermwilliams
DownloadsMolfile
FormulaC24H34O4
Net Charge0
Average Mass386.532
Monoisotopic Mass386.24571
SMILES[H][C@@]12C[C@H](C)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/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
InChIKeyPSGAAPLEWMOORI-PEINSRQWSA-N
Wikipedia
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
progestin  A synthetic progestogen.
androgen  A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
inhibitor  A substance that diminishes the rate of a chemical reaction.
Applications:
synthetic oral contraceptive  An oral contraceptive which owes its effectiveness to synthetic preparation.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
adjuvant  Any pharmacological or immunological agent that modifies the effect of other agents such as drugs or vaccines while having few if any direct effects when given by itself.
female contraceptive drug  A chemical substance or agent with contraceptive activity in females.
ChEBI Ontology
Outgoing Relation(s)
medroxyprogesterone acetate (CHEBI:6716) has functional parent medroxyprogesterone (CHEBI:6715)
medroxyprogesterone acetate (CHEBI:6716) has role adjuvant (CHEBI:60809)
medroxyprogesterone acetate (CHEBI:6716) has role androgen (CHEBI:50113)
medroxyprogesterone acetate (CHEBI:6716) has role antineoplastic agent (CHEBI:35610)
medroxyprogesterone acetate (CHEBI:6716) has role antioxidant (CHEBI:22586)
medroxyprogesterone acetate (CHEBI:6716) has role female contraceptive drug (CHEBI:49324)
medroxyprogesterone acetate (CHEBI:6716) has role inhibitor (CHEBI:35222)
medroxyprogesterone acetate (CHEBI:6716) has role progestin (CHEBI:59826)
medroxyprogesterone acetate (CHEBI:6716) has role synthetic oral contraceptive (CHEBI:49326)
medroxyprogesterone acetate (CHEBI:6716) is a 20-oxo steroid (CHEBI:36885)
medroxyprogesterone acetate (CHEBI:6716) is a 3-oxo-Δ4 steroid (CHEBI:47909)
medroxyprogesterone acetate (CHEBI:6716) is a acetate ester (CHEBI:47622)
medroxyprogesterone acetate (CHEBI:6716) is a corticosteroid (CHEBI:50858)
medroxyprogesterone acetate (CHEBI:6716) is a steroid ester (CHEBI:47880)
IUPAC Name 
(6α)-6-methyl-3,20-dioxopregn-4-en-17-yl acetate
Synonyms  Source
17-Acetoxy-6α-methylprogesteroneChemIDplus
17α-Hydroxy-6α-methylprogesterone acetateChemIDplus
6-alpha-Methyl-17-alpha-acetoxyprogesteroneKEGG COMPOUND
6-alpha-Methyl-17-alpha-hydroxyprogesterone acetateKEGG COMPOUND
(6α)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-dioneChemIDplus
6α-Methyl-17-acetoxy progesteroneChemIDplus
Brand Name  Source
Depo-ProveraChEBI
Manual XrefsDatabases
1659DrugCentral
4642461ChemSpider
C08150KEGG COMPOUND
D00951KEGG DRUG
DB00603DrugBank
Medroxyprogesterone_acetateWikipedia
Registry NumbersSources
Beilstein:2066112Beilstein
CAS:71-58-9ChemIDplus
Citations