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Desacetyl Pipecuronium Bromide

Product Specifications

CAS Number

74395-81-6

Synonyms

Piperazinium, 4,4′-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxyandrostane-2,16-diyl]bis[1,1-dimethyl-, bromide (1:2) (ACI); 4,4′-[(2β,3α,5α,16β,17β)-3-(Acetyloxy)-17-hydroxyandrostane-2,16-diyl]bis[1,1-dimethylpiperazinium] bromide (1:2) (ACI); Piperazinium, 4,4′-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxyandrostane-2,16-diyl]bis[1,1-dimethyl-, dibromide (9CI)

Hazard Statement

No Data Available

Smiles

C[C@]12[C@]([H])([C@]3([C@@]([H])([C@]4(C)[C@@]([H])(CC3)C[C@H](OC(C)=O)[C@H](C4)N5CC[N+](C)(CC5)C)CC2)[H])C[C@@H]([C@@H]1O)N6CC[N+](C)(CC6)C.[Br-].[Br-]

Molecular Formula

C33 H60 N4 O3 . 2Br

Molecular Weight

720.6625

InChI

InChI=1S/C33H60N4O3.2BrH/c1-23(38)40-30-20-24-8-9-25-26(33(24,3)22-29(30)35-14-18-37(6,7)19-15-35)10-11-32(2)27(25)21-28(31(32)39)34-12-16-36(4,5)17-13-34;;/h24-31,39H,8-22H2,1-7H3;2*1H/q+2;;/p-2/t24-,25+,26-,27-,28-,29-,30-,31-,32-,33-;;/m0../s1

Additionnal Information

IUPAC name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;dibromide

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