(2beta,5alpha,8xi,9xi,14xi,16beta,17beta)-17-Acetoxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane bromide
[CAS# 85639-52-7]

Identification

• Name: (2beta,5alpha,8xi,9xi,14xi,16beta,17beta)-17-Acetoxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane bromide
• Synonyms: 3-(Deacetoxy)vecuronium; 3-(Desacetoxy)vecuronium
• Molecular Formula: C₃₂H₅₅BrN₂O₂
• Molecular Weight: 579.70
• CAS Registry Number: 85639-52-7
• SMILES: [Br-].O=C(O[C@H]6[C@@H]([N+]1(C)CCCCC1)CC4[C@]6(C)CCC5[C@]3(C[C@H](N2CCCCC2)CC[C@@H]3CCC45)C)C
• InChI: 1S/C32H55N2O2.BrH/c1-23(35)36-30-29(34(4)19-9-6-10-20-34)21-28-26-14-12-24-11-13-25(33-17-7-5-8-18-33)22-32(24,3)27(26)15-16-31(28,30)2;/h24-30H,5-22H2,1-4H3;1H/q+1;/p-1/t24-,25-,26?,27?,28?,29+,30+,31+,32+;/m1./s1
• InChIKey: GIQDUKCSXUULNH-ONKPHSJPSA-M