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CHEBI:6959 - Mivacurium chloride

ChEBI IDCHEBI:6959
ChEBI NameMivacurium chloride
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC58H80N2O14.2Cl
Net Charge0
Average Mass1100.184
Monoisotopic Mass1098.49866
SMILES[Cl-].[Cl-].[H][C@@]1(Cc2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2CC[N+]1(C)CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc2cc(OC)c(OC)cc2[C@@]1([H])Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C58H80N2O14.2ClH/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10;;/h13-14,31-38,45-46H,15-30H2,1-12H3;2*1H/q+2;;/p-2/b14-13+;;/t45-,46-,59?,60?;;/m1../s1
InChIKeyWMSYWJSZGVOIJW-ONUALHDOSA-L
ChEBI Ontology
Outgoing Relation(s)
Mivacurium chloride (CHEBI:6959) is a isoquinolines (CHEBI:24922)
Synonyms  Source
Mivacurium chlorideKEGG COMPOUND
MivacronKEGG COMPOUND
Manual XrefsDatabases
D00763KEGG DRUG
Registry NumbersSources
CAS:106861-44-3KEGG COMPOUND