Dacuronium Bromide
[CAS# 27115-86-2]

Identification

• Name: Dacuronium Bromide
• Synonyms: Acetic Acid [(2S,3S,5S,10S,13S)-17-Hydroxy-10,13-Dimethyl-2,16-Bis(1-Methyl-1-Piperidin-1-Iumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester Dibromide; Acetic Acid [(2S,3S,5S,10S,13S)-17-Hydroxy-10,13-Dimethyl-2,16-Bis(1-Methylpiperidin-1-Ium-1-Yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester Dibromide; [(2S,3S,5S,10S,13S)-17-Hydroxy-10,13-Dimethyl-2,16-Bis(1-Methylpiperidin-1-Ium-1-Yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ethanoate Dibromide
• Molecular Formula: C₃₃H₅₈Br₂N₂O₃
• Molecular Weight: 690.64
• CAS Registry Number: 27115-86-2
• EINECS: 248-233-9
• SMILES: [C@]46(C(C1C([C@@]3([C@@H](CC1)C[C@H](OC(=O)C)[C@@H]([N+]2(CCCCC2)C)C3)C)CC4)CC([N+]5(CCCCC5)C)C6O)C.[Br-].[Br-]
• InChI: 1S/C33H58N2O3.2BrH/c1-23(36)38-30-20-24-12-13-25-26(33(24,3)22-29(30)35(5)18-10-7-11-19-35)14-15-32(2)27(25)21-28(31(32)37)34(4)16-8-6-9-17-34;;/h24-31,37H,6-22H2,1-5H3;2*1H/q+2;;/p-2/t24-,25?,26?,27?,28?,29-,30-,31?,32-,33-;;/m0../s1
• InChIKey: SUKULMJPMHYWKC-ASCUVKKQSA-L