Rocuronium bromide

CAS Registry Number®

119302-91-9
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CAS Name

Rocuronium bromide

Molecular Formula

C32H53N2O4.Br

Cite this Page

Rocuronium bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=119302-91-9 (retrieved 2022-09-24) (CAS RN: 119302-91-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    161-169 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1

InChIKey

InChIKey=OYTJKRAYGYRUJK-FMCCZJBLSA-M

SMILES

C(C=C)[N+]1(CCCC1)[C@@]2([C@H](OC(C)=O)[C@]3(C)[C@@](C2)([C@]4([C@](CC3)([C@]5(C)[C@@](CC4)(C[C@H](O)[C@](C5)(N6CCOCC6)[H])[H])[H])[H])[H])[H].[Br-]

Canonical SMILES

[Br-].O=C(OC1C(CC2C3CCC4CC(O)C(N5CCOCC5)CC4(C)C3CCC12C)[N+]6(CC=C)CCCC6)C

Other Names for this Substance

  • Pyrrolidinium, 1-[(2β,3α,5α,16β,17β)-17-(acetyloxy)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl]-1-(2-propenyl)-, bromide
  • Androstane, pyrrolidinium deriv.
  • Org 9426
  • Rocuronium bromide
  • Zemuron