(2beta,5alpha,16beta,17beta)-17-Acetoxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane dibromide
[CAS# 85639-54-9]

Identification

• Name: (2beta,5alpha,16beta,17beta)-17-Acetoxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane dibromide
• Synonyms: 3-(Deacetoxy)pancuronium; 3-(Desacetoxy)pancuronium
• Molecular Formula: C₃₃H₅₈Br₂N₂O₂
• Molecular Weight: 674.63
• CAS Registry Number: 85639-54-9
• SMILES: [Br-].[Br-].O=C(O[C@@H]4[C@@]3(C)CC[C@@H]2[C@@]6(C)C[C@H]([N+]1(C)CCCCC1)CC[C@@H]6CC[C@H]2[C@@H]3C[C@@H]4[N+]5(CCCCC5)C)C
• InChI: 1S/C33H58N2O2.2BrH/c1-24(36)37-31-30(35(5)20-10-7-11-21-35)22-29-27-15-13-25-12-14-26(34(4)18-8-6-9-19-34)23-33(25,3)28(27)16-17-32(29,31)2;;/h25-31H,6-23H2,1-5H3;2*1H/q+2;;/p-2/t25-,26-,27-,28+,29+,30+,31+,32+,33+;;/m1../s1
• InChIKey: XAEUEIVGGJVNHQ-ZVFOIEBASA-L