[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-Butanoyloxy-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-17-Yl] Butanoate Dibromide
[CAS# 73319-20-7]

Identification

• Name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-Butanoyloxy-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-17-Yl] Butanoate Dibromide
• Synonyms: Butanoic Acid [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-Dimethyl-2,16-Bis(1-Methyl-1-Piperidin-1-Iumyl)-3-(1-Oxobutoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester Dibromide; Butyric Acid [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-Butyryloxy-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-17-Yl] Ester Dibromide; Dbdad
• Molecular Formula: C₃₉H₆₈Br₂N₂O₄
• Molecular Weight: 788.79
• CAS Registry Number: 73319-20-7
• SMILES: [C@H]1([C@H](C[C@H]2[C@](C1)([C@@H]3[C@@H](CC2)[C@H]4[C@](CC3)([C@@H](OC(=O)CCC)[C@H](C4)[N+]5(CCCCC5)C)C)C)OC(=O)CCC)[N+]6(CCCCC6)C.[Br-].[Br-]
• InChI: 1S/C39H68N2O4.2BrH/c1-7-15-35(42)44-34-25-28-17-18-29-30(39(28,4)27-33(34)41(6)23-13-10-14-24-41)19-20-38(3)31(29)26-32(37(38)45-36(43)16-8-2)40(5)21-11-9-12-22-40;;/h28-34,37H,7-27H2,1-6H3;2*1H/q+2;;/p-2/t28-,29+,30-,31-,32-,33-,34-,37-,38-,39-;;/m0../s1
• InChIKey: STPYLHPYPGPHRI-PFTBPTPCSA-L