Analyte Name

Piperidinium, 1-[(2beta, 3alpha, 5alpha, 16beta, 17beta)-3-acetyloxy-17-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl bromide

CAS Number

50587-95-6

Molecular Formula

C32 H55 N2 O3 . Br

Molecular Weight

595.69

Accurate Mass

594.3396

SMILES

[Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)[C@H](C[C@@H]34)[N+]5(C)CCCCC5)[C@@]2(C)C[C@@H]1N6CCCCC6

InChI

1H/q+1, /p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-, /m0./s1, InChI=1S/C32H55N2O3.BrH/c1-22(35)37-29-19-23-11-12-24-25(32(23,3)21-27(29)33-15-7-5-8-16-33)13-14-31(2)26(24)20-28(30(31)36)34(4)17-9-6-10-18-34, /h23-30,36H,5-21H2,1-4H3

IUPAC

[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;bromide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat