Molecular Identity
Medroxyprogesterone
(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
PubChem CID: 10631
Medroxyprogesterone is a 3-oxo 4-steroid that is pregn-4-ene-3,20-dione substituted by an alpha-hydroxy group at position 17 and a methyl group at position 6. It has a role as a contraceptive drug, a synthetic oral contraceptive and a progestin. It is a tertiary alpha-hydroxy ketone, a 17alpha-hydroxy steroid, a 20-oxo steroid and a 3-oxo-Delta(4) steroid.
2D Structure
Properties
C22H32O3
Molecular Formula
344.50
Molecular Weight
g/mol
344.2351
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
54.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
664
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4(C1=CC(=O)CC4)CIsomeric SMILES
SMILES: C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)CSynonyms(20)
medroxyprogesterone520-85-4MedroxyprogesteronMedroxiprogesteronaMedroxyprogesteronumMedrossiprogesterone6alpha-Methyl-17alpha-hydroxyprogesterone17-Hydroxy-6alpha-methylprogesterone17alpha-Hydroxy-6alpha-methylprogesteroneFarlutal inyectableDTXSID00365086alpha-Methyl-4-pregnen-17alpha-ol-3,20-dione17-Hydroxy-6alpha-methyl-pregn-4-ene-3,20-dioneHSU1C9YRESU 8840
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Medroxyprogesterone
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