(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-17-[2-(4-methylpiperazin-1-yl)ethanoyl]-11,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one hydrochloride

Systemtic Name: (8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-17-[2-(4-methylpiperazin-1-yl)ethanoyl]-11,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one hydrochloride Openeye Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-[2-(4-methylpiperazin-1-yl)acetyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one hydrochloride CAS Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one hydrochloride IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-[2-(4-methylpiperazin-1-yl)acetyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one hydrochloride Traditional Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-[2-(4-methylpiperazino)acetyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one hydrochloride Formula: C26H39ClN2O4 MolecularWeight: 479.05186

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CCC2(C(=O)CN4CCN(CC4)C)O)CCC5=CC(=O)C=CC35C)O.Cl

Isomeric SMILES

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CN4CCN(CC4)C)O)CCC5=CC(=O)C=C[C@]35C)O.Cl

InChI

InChI=1S/C26H38N2O4.ClH/c1-24-8-6-18(29)14-17(24)4-5-19-20-7-9-26(32,25(20,2)15-21(30)23(19)24)22(31)16-28-12-10-27(3)11-13-28;/h6,8,14,19-21,23,30,32H,4-5,7,9-13,15-16H2,1-3H3;1H/t19-,20-,21-,23+,24-,25-,26-;/m0./s1