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rocuronium bromide
The bromide salt of a 5alpha androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents.


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05. Industrial Uses: pharmaceutical [CHEBI:52217] > drug [CHEBI:23888]
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05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 neuromuscular agent [CHEBI:51372] (51) 
 rocuronium bromide [CHEBI:8885] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 halogen molecular entity [CHEBI:24471] (1475) 
 bromine molecular entity [CHEBI:22928] (199) 
 bromide salt [CHEBI:22925] (45) 
 organic bromide salt [CHEBI:48369] (33) 
 rocuronium bromide [CHEBI:8885] (1)
 halide [CHEBI:37578] (1402) 
 halide salt [CHEBI:33958] (423) 
 bromide salt [CHEBI:22925] (45) 
 organic bromide salt [CHEBI:48369] (33) 
 rocuronium bromide [CHEBI:8885] (1)
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 quaternary nitrogen compound [CHEBI:26469] (238) 
 quaternary ammonium salt [CHEBI:35273] (50) 
 rocuronium bromide [CHEBI:8885] (1)
 ammonium compound [CHEBI:35276] (129) 
 organoammonium salt [CHEBI:46850] (104) 
 quaternary ammonium salt [CHEBI:35273] (50) 
 rocuronium bromide [CHEBI:8885] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 salt [CHEBI:24866] (931) 
 organic salt [CHEBI:24868] (775) 
 organic halide salt [CHEBI:51069] (386) 
 organic bromide salt [CHEBI:48369] (33) 
 rocuronium bromide [CHEBI:8885] (1)
 halide salt [CHEBI:33958] (423) 
 bromide salt [CHEBI:22925] (45) 
 organic bromide salt [CHEBI:48369] (33) 
 rocuronium bromide [CHEBI:8885] (1)
 halide [CHEBI:37578] (1402) 
 halide salt [CHEBI:33958] (423) 
 bromide salt [CHEBI:22925] (45) 
 organic bromide salt [CHEBI:48369] (33) 
 rocuronium bromide [CHEBI:8885] (1)
ChEBI Compound Accession Identifier  [CHEBI:8885]
ChEBI Compound Description  The bromide salt of a 5alpha androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents.
ChEBI Compound Identification Number  8885
ChEBI InChI Value  "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/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1"
ChEBI InChIKey Value  OYTJKRAYGYRUJK-FMCCZJBLSA-M
ChEBI Compound Name  rocuronium bromide
ChEBI SMILES Value  [Br-].[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OC(C)=O)[C@H](C[C@@]34[H])[N+]3(CCCC3)CC=C)[C@@]1(C)C[C@@H]([C@@H](O)C2)N1CCOCC1
ChEBI Substance ID  87246406
ChEBI URL  ChEBI:8885
ChemSpider ID  390104
Ontomatica Chemical Accession Key (OnChAKey)  OYTJKRAYGYRUJK_FMCCZJBLSA_M_000_000000
PubChem Compound ID  441351