(2beta,3alpha,5alpha,16beta,17beta)-3,17-Diacetoxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane
[CAS# 86029-43-8]

Identification

• Name: (2beta,3alpha,5alpha,16beta,17beta)-3,17-Diacetoxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane
• Synonyms: Vecuronium; Vecuronium bromide; C07553
• Molecular Formula: C₃₄H₅₇N₂O₄
• Molecular Weight: 557.83
• CAS Registry Number: 86029-43-8
• SMILES: CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C
• InChI: 1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
• InChIKey: BGSZAXLLHYERSY-XQIGCQGXSA-N