3-Desacetylpipecuronium
[CAS# 121935-02-2]

Identification

• Name: 3-Desacetylpipecuronium
• Synonyms: Acetic Acid [(3S,5S,10S,13S,17R)-2,16-Bis(4,4-Dimethyl-1-Piperazin-4-Iumyl)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(3S,5S,10S,13S,17R)-2,16-Bis(4,4-Dimethylpiperazin-4-Ium-1-Yl)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; [(3S,5S,10S,13S,17R)-2,16-Bis(4,4-Dimethylpiperazin-4-Ium-1-Yl)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₃₃H₆₀N₄O₃
• Molecular Weight: 560.86
• CAS Registry Number: 121935-02-2
• SMILES: [C@H]1(C(C[C@]3([C@H](C1)CCC4C2CC([C@@H]([C@@]2(C)CCC34)OC(=O)C)N5CC[N+](CC5)(C)C)C)N6CC[N+](CC6)(C)C)O
• InChI: 1S/C33H60N4O3/c1-23(38)40-31-28(34-12-16-36(4,5)17-13-34)21-27-25-9-8-24-20-30(39)29(35-14-18-37(6,7)19-15-35)22-33(24,3)26(25)10-11-32(27,31)2/h24-31,39H,8-22H2,1-7H3/q+2/t24-,25?,26?,27?,28?,29?,30-,31-,32-,33-/m0/s1
• InChIKey: FJHUVPAYHMPQGM-CSJYSYQFSA-N