Rapacuronium bromide

CAS Registry Number®

156137-99-4
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CAS Name

Rapacuronium bromide

Molecular Formula

C37H61N2O4.Br

Cite this Page

Rapacuronium bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=156137-99-4 (retrieved 2024-03-29) (CAS RN: 156137-99-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H61N2O4.BrH/c1-6-20-39(21-12-9-13-22-39)32-24-30-28-15-14-27-23-33(42-26(3)40)31(38-18-10-8-11-19-38)25-37(27,5)29(28)16-17-36(30,4)35(32)43-34(41)7-2;/h6,27-33,35H,1,7-25H2,2-5H3;1H/q+1;/p-1/t27-,28+,29-,30-,31-,32-,33-,35-,36-,37-;/m0./s1

InChIKey

InChIKey=LVQTUXZKLGXYIU-GWSNJHLMSA-M

SMILES

C(C=C)[N@@+]1(CCCCC1)[C@@H]2[C@H](OC(CC)=O)[C@]3(C)[C@@](C2)([C@]4([C@](CC3)([C@]5(C)[C@@](CC4)(C[C@H](OC(C)=O)[C@H](C5)N6CCCCC6)[H])[H])[H])[H].[Br-]

Canonical SMILES

[Br-].O=C(OC1CC2CCC3C(CCC4(C)C(OC(=O)CC)C(CC34)[N+]5(CC=C)CCCCC5)C2(C)CC1N6CCCCC6)C

Other Names for this Substance

  • Piperidinium, 1-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-(1-oxopropoxy)-2-(1-piperidinyl)androstan-16-yl]-1-(2-propen-1-yl)-, bromide (1:1)
  • Piperidinium, 1-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-(1-oxopropoxy)-2-(1-piperidinyl)androstan-16-yl]-1-(2-propenyl)-, bromide
  • Org 9487
  • Rapacuronium bromide
  • Raplon

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