Dimethisterone hydrate

PubChem Notes:

Dimethisterone A synthetic progestational hormone without significant estrogenic or androgenic properties. It was formerly used as the progestational component in oral sequential contraceptives.

Molecular Formula: C23H34O3


InChI: InChI=1/C23H32O2.H2O/c1-5-9-23(25)12-8-19-17-13-15(2)20-14-16(24)6-10-21(20,3)18(17)7-11-22(19,23)4;/h14-15,17-19,25H,6-8,10-13H2,1-4H3;1H2/t15-,17+,18-,19-,21+,22-,23-;/m0./s1

InChIKey: InChIKey=REHJTMDOJHAPJV-IVTQUDKZBU
SMILES: CC#CC1(CCC2C1(CCC3C2CC(C4=CC(=O)CCC34C)C)C)O.O

Names:
    Androst-4-en-3-one, 17-hydroxy-6-methyl-17-(1-propynyl)-, monohydrate, (6alpha,17beta)-
    Dimethisterone hydrate
    Dimethisterone [USAN:BAN:INN]
    (6S,8R,9S,10R,13S,14S,17S)-17-hydroxy-6,10,13-trimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one hydrate
    17beta-Hydroxy-6-alpha-methyl-17-(1-propynyl)androst-4-en-3-one monohydrate
    41354-30-7
    79-64-1

Registries:
    PubChem CID 65320
    PubChem ID 207299