Rocuronium

CAS Registry Number®

143558-00-3

CAS Name

Rocuronium

Molecular Formula

C32H53N2O4

Cite this Page

Rocuronium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=143558-00-3 (retrieved 2024-11-22) (CAS RN: 143558-00-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H53N2O4/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/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1

InChIKey

InChIKey=YXRDKMPIGHSVRX-OOJCLDBCSA-N

SMILES

C(C=C)[N+]1(CCCC1)[C@@H]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@H](C5)N6CCOCC6)[H])[H])[H])[H]

Canonical SMILES

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)-
  • Androstane, pyrrolidinium deriv.
  • 1-[(2β,3α,5α,16β,17β)-17-(Acetyloxy)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl]-1-(2-propenyl)pyrrolidinium
  • Rocuronium