CAS Registry Number®
1190105-66-8
CAS Name
Pyrrolidinium, 1-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)-2-(1-pyrrolidinyl)androstan-16-yl]-1-(2-propen-1-yl)-, bromide (1:1)
Molecular Formula
C34H55N2O4.Br
Other Names and Identifiers
InChI
InChI=1S/C34H55N2O4.BrH/c1-6-17-36(18-9-10-19-36)30-21-28-26-12-11-25-20-31(39-23(2)37)29(35-15-7-8-16-35)22-34(25,5)27(26)13-14-33(28,4)32(30)40-24(3)38;/h6,25-32H,1,7-22H2,2-5H3;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1
InChIKey
InChIKey=SRMGVJLZFIUKGN-PWXDFCLTSA-M
SMILES
O(C(C)=O)[C@H]1[C@H](C[C@@]2([C@]1(C)CC[C@]3([C@]2(CC[C@@]4([C@]3(C)C[C@@H]([C@@H](OC(C)=O)C4)N5CCCC5)[H])[H])[H])[H])[N@@+]6(CC=C)CCCC6.[Br-]
Canonical SMILES
[Br-].O=C(OC1CC2CCC3C(CCC4(C)C(OC(=O)C)C(CC34)[N+]5(CC=C)CCCC5)C2(C)CC1N6CCCC6)C
Other Names for this Substance
- Pyrrolidinium, 1-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)-2-(1-pyrrolidinyl)androstan-16-yl]-1-(2-propen-1-yl)-, bromide (1:1)
