Rocuronium
CAS Registry Number®
143558-00-3
No image available.
CAS Name
RocuroniumMolecular Formula
C32H53N2O4Cite 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 ) (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
