CHEBI:6715 - medroxyprogesterone

ChEBI IDCHEBI:6715
ChEBI Namemedroxyprogesterone
Stars
DefinitionA 3-oxo Δ4-steroid that is pregn-4-ene-3,20-dione substituted by an α-hydroxy group at position 17 and a methyl group at position 6.
Last Modified22 January 2020
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
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(O)C(C)=O
InChIInChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1
InChIKeyFRQMUZJSZHZSGN-HBNHAYAOSA-N
Roles Classification
Biological Role:
progestin  A synthetic progestogen.
Applications:
contraceptive drug  A chemical substance that prevents or reduces the probability of conception.
synthetic oral contraceptive  An oral contraceptive which owes its effectiveness to synthetic preparation.
ChEBI Ontology
Outgoing Relation(s)
medroxyprogesterone (CHEBI:6715) has role contraceptive drug (CHEBI:49323)
medroxyprogesterone (CHEBI:6715) has role progestin (CHEBI:59826)
medroxyprogesterone (CHEBI:6715) has role synthetic oral contraceptive (CHEBI:49326)
medroxyprogesterone (CHEBI:6715) is a 17α-hydroxy steroid (CHEBI:35342)
medroxyprogesterone (CHEBI:6715) is a 20-oxo steroid (CHEBI:36885)
medroxyprogesterone (CHEBI:6715) is a 3-oxo-Δ4 steroid (CHEBI:47909)
medroxyprogesterone (CHEBI:6715) is a tertiary α-hydroxy ketone (CHEBI:139592)
Incoming Relation(s)
medroxyprogesterone acetate (CHEBI:6716) has functional parent medroxyprogesterone (CHEBI:6715)
IUPAC Name 
(6α)-17-hydroxy-6-methylpregn-4-ene-3,20-dione
INNs  Source
medroxiprogesteronaChemIDplus
medroxyprogesteroneChemIDplus
médroxyprogestéroneChEBI
medroxyprogesteronumChemIDplus
Synonyms  Source
17-Hydroxy-6α-methyl-pregn-4-ene-3,20-dioneChemIDplus
17-Hydroxy-6α-methylprogesteroneChemIDplus
17α-Hydroxy-6α-methylprogesteroneChemIDplus
6α-Methyl-17α-hydroxyprogesteroneChemIDplus
6α-Methyl-4-pregnen-17α-ol-3,20-dioneChemIDplus
MedroxyprogesteronChemIDplus
Manual XrefsDatabases
C07119KEGG COMPOUND
D08166KEGG DRUG
DB00603DrugBank
GB866381Patent
HMDB0001939HMDB
US3043832Patent
US3061616Patent
US3377364Patent
Registry NumbersSources
Reaxys:2510965Reaxys
CAS:520-85-4ChemIDplus
Citations