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atracurium besylate
The bisbenzenesulfonate salt of atracurium.


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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 pharmacological uses [CHEBI:52210] (736) 
 neurotransmitter agent [CHEBI:35942] (471) 
 cholinergic drug [CHEBI:38323] (108) 
 cholinergic antagonist [CHEBI:48873] (84) 
 nicotinic antagonist [CHEBI:48878] (8) 
 atracurium besylate [CHEBI:2915] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 neuromuscular agent [CHEBI:51372] (51) 
 muscle relaxant [CHEBI:51371] (47) 
 atracurium besylate [CHEBI:2915] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 quaternary nitrogen compound [CHEBI:26469] (238) 
 quaternary ammonium salt [CHEBI:35273] (50) 
 atracurium besylate [CHEBI:2915] (2)
 ammonium compound [CHEBI:35276] (129) 
 organoammonium salt [CHEBI:46850] (104) 
 quaternary ammonium salt [CHEBI:35273] (50) 
 atracurium besylate [CHEBI:2915] (2)
 polyatomic entity [CHEBI:36357] (18777) 
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 salt [CHEBI:24866] (931) 
 organic salt [CHEBI:24868] (775) 
 organosulfonate salt [CHEBI:64382] (37) 
 atracurium besylate [CHEBI:2915] (2)
ChEBI Compound Accession Identifier  [CHEBI:2915]
ChEBI Compound Description  The bisbenzenesulfonate salt of atracurium.
ChEBI Compound Identification Number  2915
ChEBI InChI Value  "InChI=1S/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2"
ChEBI InChIKey Value  XXZSQOVSEBAPGS-UHFFFAOYSA-L
ChEBI Compound Name  atracurium besylate
ChEBI SMILES Value  [O-]S(=O)(=O)c1ccccc1.[O-]S(=O)(=O)c1ccccc1.COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC
ChEBI Substance ID  87351880
ChEBI URL  ChEBI:2915
ChemSpider ID  43068
Ontomatica Chemical Accession Key (OnChAKey)  XXZSQOVSEBAPGS_UHFFFAOYSA_L_000_000000
PubChem Compound ID  47320