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

More details:

• Systematic name

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

• SMILES

  C=CC[N+]1(CCCCC1)[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H]([C@H](C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC([2H])([2H])[2H])N6CCCCC6)OC(=O)C.[Br-] [2H]C([2H])([2H])CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)OC(=O)C)N5CCCCC5)C)C)[N+]6(CCCCC6)CC=C.[Br-]

• 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-;/m0./s1/i2D3;

• Std. InChIKey

  LVQTUXZKLGXYIU-IKMQPEGYSA-M

• Cite this record

  CSID:58785484, http://www.chemspider.com/Chemical-Structure.58785484.html (accessed 11:51, Apr 18, 2024)