Pipecuronium bromide

CAS Registry Number®

52212-02-9
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CAS Name

Pipecuronium bromide

Molecular Formula

C35H62N4O4.2Br

Cite this Page

Pipecuronium bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52212-02-9 (retrieved 2022-08-19) (CAS RN: 52212-02-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    262-264 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C35H62N4O4.2BrH/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;;/h26-33H,9-23H2,1-8H3;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1

InChIKey

InChIKey=TXWBOBJCRVVBJF-YTGGZNJNSA-L

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](OC(C)=O)[C@](C4)(N5CC[N+](C)(C)CC5)[H])[H])(CC1)[H])[H])(C[C@@]([C@@H]2OC(C)=O)(N6CC[N+](C)(C)CC6)[H])[H].[Br-]

Canonical SMILES

[Br-].O=C(OC1CC2CCC3C(CCC4(C)C(OC(=O)C)C(N5CC[N+](C)(C)CC5)CC34)C2(C)CC1N6CC[N+](C)(C)CC6)C

Other Names for this Substance

  • Piperazinium, 4,4′-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)androstane-2,16-diyl]bis[1,1-dimethyl-, bromide (1:2)
  • Piperazinium, 4,4′-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)androstane-2,16-diyl]bis[1,1-dimethyl-, dibromide
  • Pipecuronium bromide
  • RGH 1106
  • Arduan

Deleted or Replaced CAS Registry Numbers

67880-85-7, 84307-15-3