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atracurium
A diester compound consisting of pentane-1,5-diol with both hydroxyls bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups.


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08. Chemical Category: ion [CHEBI:24870] > cation [CHEBI:36916]
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more general categories    information about this item
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 [CHEBI:2914] (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 [CHEBI:2914] (1)
08. Chemical Category 
08. Chemical Category
 ion [CHEBI:24870] (4391) 
 polyatomic ion [CHEBI:36358] (2633) 
 polyatomic cation [CHEBI:33702] (611) 
 ammonium ion [CHEBI:35274] (507) 
 quaternary ammonium ion [CHEBI:35267] (174) 
 atracurium [CHEBI:2914] (1)
 cation [CHEBI:36916] (947) 
 polyatomic cation [CHEBI:33702] (611) 
 ammonium ion [CHEBI:35274] (507) 
 quaternary ammonium ion [CHEBI:35267] (174) 
 atracurium [CHEBI:2914] (1)
 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) 
 ammonium ion [CHEBI:35274] (507) 
 quaternary ammonium ion [CHEBI:35267] (174) 
 atracurium [CHEBI:2914] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 ester [CHEBI:35701] (3370) 
 diester [CHEBI:51307] (28) 
 atracurium [CHEBI:2914] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 polyatomic ion [CHEBI:36358] (2633) 
 polyatomic cation [CHEBI:33702] (611) 
 ammonium ion [CHEBI:35274] (507) 
 quaternary ammonium ion [CHEBI:35267] (174) 
 atracurium [CHEBI:2914] (1)
ChEBI Compound Accession Identifier  [CHEBI:2914]
ChEBI Compound Description  A diester compound consisting of pentane-1,5-diol with both hydroxyls bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups.
ChEBI Compound Identification Number  2914
ChEBI InChI Value  InChI=1S/C53H72N2O12/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/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2
ChEBI InChIKey Value  YXSLJKQTIDHPOT-UHFFFAOYSA-N
ChEBI Compound Name  atracurium
ChEBI SMILES Value  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  87351879
ChEBI URL  ChEBI:2914
ChemSpider ID  NS
Ontomatica Chemical Accession Key (OnChAKey)  YXSLJKQTIDHPOT_UHFFFAOYSA_N_000_000000
PubChem Compound ID  47319