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(1S,2R,1'S,2'R)-doxacurium chloride
The dichloride salt of (1S,2R,1'S,2'R)-doxacurium.


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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) 
 chlorine molecular entity [CHEBI:23117] (884) 
 chloride salt [CHEBI:23114] (326) 
 (1S,2R,1'S,2'R)-doxacurium chloride [CHEBI:59823] (1)
 halide [CHEBI:37578] (1402) 
 halide salt [CHEBI:33958] (423) 
 chloride salt [CHEBI:23114] (326) 
 (1S,2R,1'S,2'R)-doxacurium chloride [CHEBI:59823] (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) 
 (1S,2R,1'S,2'R)-doxacurium chloride [CHEBI:59823] (1)
 ammonium compound [CHEBI:35276] (129) 
 organoammonium salt [CHEBI:46850] (104) 
 quaternary ammonium salt [CHEBI:35273] (50) 
 (1S,2R,1'S,2'R)-doxacurium chloride [CHEBI:59823] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 ester [CHEBI:35701] (3370) 
 diester [CHEBI:51307] (28) 
 (1S,2R,1'S,2'R)-doxacurium chloride [CHEBI:59823] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 salt [CHEBI:24866] (931) 
 halide salt [CHEBI:33958] (423) 
 chloride salt [CHEBI:23114] (326) 
 (1S,2R,1'S,2'R)-doxacurium chloride [CHEBI:59823] (1)
 halide [CHEBI:37578] (1402) 
 halide salt [CHEBI:33958] (423) 
 chloride salt [CHEBI:23114] (326) 
 (1S,2R,1'S,2'R)-doxacurium chloride [CHEBI:59823] (1)
ChEBI Compound Accession Identifier  [CHEBI:59823]
ChEBI Compound Description  The dichloride salt of (1S,2R,1'S,2'R)-doxacurium.
ChEBI Compound Identification Number  59823
ChEBI InChI Value  "InChI=1S/C56H78N2O16.2ClH/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6;;/h29-34,39-40H,15-28H2,1-14H3;2*1H/q+2;;/p-2/t39-,40-,57-,58-;;/m0../s1"
ChEBI InChIKey Value  APADFLLAXHIMFU-MSZODMFZSA-L
ChEBI Compound Name  (1S,2R,1'S,2'R)-doxacurium chloride
ChEBI SMILES Value  [Cl-].[Cl-].COc1cc(C[C@H]2c3c(CC[N@+]2(C)CCCOC(=O)CCC(=O)OCCC[N@@+]2(C)CCc4cc(OC)c(OC)c(OC)c4[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c(OC)c3OC)cc(OC)c1OC
ChEBI Substance ID  99319659
ChEBI URL  ChEBI:59823
ChemSpider ID  26331728
Ontomatica Chemical Accession Key (OnChAKey)  APADFLLAXHIMFU_MSZODMFZSA_L_000_000000
PubChem Compound ID  46878552