Medroxyprogesterone caproate

HCID 62997

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Basic information

CAS: 6678-23-5
Standard SMILES: CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIKey: RDNJGIAWTAMGGM-UPIZIACDSA-N
Molecular formula: C28H42O4
Average molar mass: 442.6 g/mol
Monoisotopic mass: 442.30830982

Names & identifiers

Preferred name: Medroxyprogesterone caproate
IUPAC: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate

Names & synonyms

Medroxyprogesterone caproateMedroxyprogesterone-caproateGNC5BCM98A6678-23-5UNII-GNC5BCM98ASCHEMBL3973882DTXSID002169026alpha-Methyl-17-((1-oxohexyl)oxy)pregn-4-ene-3,20-dioneMEDROXYPROGESTERONE 17-CAPROATE6alpha-Methyl-3,20-dioxopregn-4-en-17-yl hexanoateQ27279193PROGESTERONE, 17-HYDROXY-6.ALPHA.-METHYL-, HEXANOATE

Show more names

PREGN-4-ENE-3,20-DIONE, 17-HYDROXY-6.ALPHA.-METHYL-, HEXANOATEPregn-4-ene-3,20-dione, 6-methyl-17-((1-oxohexyl)oxy)-, (6alpha)-PREGN-4-ENE-3,20-DIONE, 6-METHYL-17-((1-OXOHEXYL)OXY)-, (6.ALPHA.)-(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl hexanoate

Database identifiers

CAS: 6678-23-5
PubChem CID: 62997
DTXSID: DTXSID00216902
UNII: GNC5BCM98A

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 60.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 32
Formal charge: 0
Complexity: 827

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