Zemuron

[(2S,3S,10S,13S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide

Also Known As: Zemuron|Rocuronium|ROCURONIUM BROMIDE|AC1L1TQK|AC1Q1RGF|ZEMURON (P/F)|Org-9426|ORG 9426|Rocuronium bromide [USAN:BAN:INN]|1-(17-(acetoyl)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)pyrrolidinium|(2|A,3|A,8|I,9|I,14|I,16|A,17|A)-17-(acetyloxy)-3-hydroxy-2-(morpholin-4-yl)-16-[1-(prop-2-en-1-yl)pyrrolidinium-1-yl]androstane bromide|[(2S,3S,10S,13S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide|1-Allyl-1-(3alpha,17beta-dihydroxy-2beta-morpholino-5alpha-androstan-16beta-yl)pyrrolidinium bromide, 17-acetate|Pyrrolidinium, 1-((2beta,3alpha,5alpha,16beta,17beta)-17-(acetyloxy)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)-, bromide

Molecular Formula	C32H53BrN2O4
Molecular Weight	608.31885 g/mol
LogP	1.41
Topological Polar Surface Area	59.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	608.31885
Heavy Atoms	39
Complexity	904.6

Chemical Identifiers

CAS Number	119302-91-9
SMILES	CC(=O)O[C@H]1[C@H](CC2[C@@]1(CCC3C2CCC4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]