Piperidinium, 1,1′-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)androstane-2,16-diyl]bis[1-methyl-, dibromide, monohydrate
CAS Registry Number®
22189-36-2
CAS Name
Piperidinium, 1,1′-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)androstane-2,16-diyl]bis[1-methyl-, dibromide, monohydrateMolecular Formula
C35H60N2O4.2Br.H2OCite this Page
Piperidinium, 1,1′-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)androstane-2,16-diyl]bis[1-methyl-, dibromide, monohydrate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=22189-36-2 (retrieved ) (CAS RN: 22189-36-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C35H60N2O4.2BrH.H2O/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36;;;/h26-33H,7-23H2,1-6H3;2*1H;1H2/q+2;;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;;/m0.../s1
InChIKey
InChIKey=KSNRANIFOPUVTD-CVPFSWIZSA-L
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](OC(C)=O)[C@H](C4)[N+]5(C)CCCCC5)[H])(CC1)[H])[H])(C[C@@H]([C@@H]2OC(C)=O)[N+]6(C)CCCCC6)[H].[Br-].O
Canonical SMILES
[Br-].O=C(OC1CC2CCC3C(CCC4(C)C(OC(=O)C)C(CC34)[N+]5(C)CCCCC5)C2(C)CC1[N+]6(C)CCCCC6)C.O
Other Names for this Substance
- Piperidinium, 1,1′-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)androstane-2,16-diyl]bis[1-methyl-, dibromide, monohydrate
- Piperidinium, 1,1′-(3α,17β-dihydroxy-5α-androstan-2β,16β-ylene)bis[1-methyl-, dibromide, diacetate, monohydrate
- Androstane, piperidinium deriv.