[(2S,3S,5S,10S,13S,17R)-3-Acetyloxy-16-(4,4-Dimethyl-2,3-Dihydropyrazin-4-Ium-1-Yl)-2-(4,4-Dimethylpiperazin-4-Ium-1-Yl)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl] Acetate Dibromide
[CAS# 120301-02-2]

Identification

• Name: [(2S,3S,5S,10S,13S,17R)-3-Acetyloxy-16-(4,4-Dimethyl-2,3-Dihydropyrazin-4-Ium-1-Yl)-2-(4,4-Dimethylpiperazin-4-Ium-1-Yl)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl] Acetate Dibromide
• Synonyms: [(2S,3S,5S,10S,13S,17R)-3-Acetoxy-16-(4,4-Dimethyl-2,3-Dihydropyrazin-4-Ium-1-Yl)-2-(4,4-Dimethylpiperazin-4-Ium-1-Yl)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Acetate Dibromide; Acetic Acid [(2S,3S,5S,10S,13S,17R)-3-Acetoxy-16-(4,4-Dimethyl-2,3-Dihydropyrazin-4-Ium-1-Yl)-2-(4,4-Dimethyl-1-Piperazin-4-Iumyl)-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 Dibromide; Acetic Acid [(2S,3S,5S,10S,13S,17R)-3-Acetoxy-16-(4,4-Dimethyl-2,3-Dihydropyrazin-4-Ium-1-Yl)-2-(4,4-Dimethylpiperazin-4-Ium-1-Yl)-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 Dibromide
• Molecular Formula: C₃₅H₆₀Br₂N₄O₄
• Molecular Weight: 760.69
• CAS Registry Number: 120301-02-2
• SMILES: [C@]46(C3C(C2[C@@]([C@@H](OC(=O)C)C(N1C=C[N+](CC1)(C)C)C2)(CC3)C)CC[C@H]4C[C@H](OC(=O)C)[C@@H](N5CC[N+](CC5)(C)C)C6)C.[Br-].[Br-]
• InChI: 1S/C35H60N4O4.2BrH/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36;;/h13,17,26-33H,9-12,14-16,18-23H2,1-8H3;2*1H/q+2;;/p-2/t26-,27?,28?,29?,30?,31-,32-,33-,34-,35-;;/m0../s1
• InChIKey: SNFVBPSRBTWAIZ-ASRDMXTLSA-L