CAS Registry Number®
119302-91-9
CAS Name
Rocuronium bromide
Molecular Formula
C32H53N2O4.Br
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
InChIKey
InChIKey=OYTJKRAYGYRUJK-UHFFFAOYSA-M
SMILES
C(C=C)[N+]1(CCCC1)C2C(OC(C)=O)C3(C)C(C2)C4C(CC3)C5(C)C(CC4)CC(O)C(C5)N6CCOCC6.[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
- Esmeron
- (+)-Rocuronium bromide
