Solacapine

Molecular Formula: C₂₇H₄₈N₂O₂

InChI: InChI=1/C27H48N2O2/c1-15-11-23(31)25(29-14-15)16(2)24-22(30)13-21-19-6-5-17-12-18(28)7-9-26(17,3)20(19)8-10-27(21,24)4/h15-25,29-31H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24+,25-,26+,27+/m1/s1

InChIKey: InChIKey=SSDNUGHQUZHHEE-YGUMODFPBP
SMILES: CC1CC(C(NC1)C(C)C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)N)C)C)O)O

Names:
    C10818
    Solacapine
    (2R,3S,5R)-2-[(1S)-1-[(3S,5S,8R,9S,10S,13S,14S,16R,17S)-3-amino-16-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methyl-piperidin-3-ol
    63785-22-8

Registries:
    PubChem CID 442983
    PubChem ID 13001