(2α,3β,5β,8α,9β,10α,13α,14β,16α,17α)-3-Acetoxy-16-(1-allyl-1-piperidiniumyl)-2-(1-piperidinyl)-17-[(3,3,3-²H₃)propanoyloxy]androstane bromide

More details:

• Systematic name

  (2alpha,3beta,5beta,8alpha,9beta,10alpha,13alpha,14beta,16alpha,17alpha)-3-Acetoxy-16-(1-allyl-1-piperidiniumyl)-2-(1-piperidinyl)-17-[(3,3,3-~2~H_3_)propanoyloxy]androstane bromide

• SMILES

  [Br-].[2H]C([2H])([2H])CC(=O)O[C@@H]1[C@@H](C[C@@H]2[C@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@@H](C[C@@]4(C)[C@@H]3CC[C@]21C)N1CCCCC1)[N+]1(CC=C)CCCCC1

• Std. InChi

  InChI=1S/C37H61N2O4.BrH/c1-6-20-39(21-12-9-13-22-39)32-24-30-28-15-14-27-23-33(42-26(3)40)31(38-18-10-8-11-19-38)25-37(27,5)29(28)16-17-36(30,4)35(32)43-34(41)7-2;/h6,27-33,35H,1,7-25H2,2-5H3;1H/q+1;/p-1/t27-,28+,29-,30-,31-,32-,33-,35-,36-,37-;/m1./s1/i2D3;

• Std. InChIKey

  LVQTUXZKLGXYIU-AKOUOSRUSA-M

• Cite this record

  CSID:111312525, http://www.chemspider.com/Chemical-Structure.111312525.html (accessed 10:46, May 21, 2024)