Vecuronium

CAS Registry Number®

50700-72-6
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CAS Name

Vecuronium

Molecular Formula

C34H57N2O4.Br

Cite this Page

Vecuronium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50700-72-6 (retrieved 2021-07-29) (CAS RN: 50700-72-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    228 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C34H57N2O4.BrH/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36;/h25-32H,6-22H2,1-5H3;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1

InChIKey

InChIKey=VEPSYABRBFXYIB-PWXDFCLTSA-M

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@@](CC3)(C[C@H](OC(C)=O)[C@](C4)(N5CCCCC5)[H])[H])[H])[H])(C[C@@]([C@@H]2OC(C)=O)([N+]6(C)CCCCC6)[H])[H].[Br-]

Canonical SMILES

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

Other Names for this Substance

  • Piperidinium, 1-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide (1:1)
  • Piperidinium, 1-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide
  • Androstane, piperidinium deriv.
  • Org-NC 45
  • NC 45

Deleted or Replaced CAS Registry Numbers

63884-29-7, 72254-12-7, 74531-67-2