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CHEBI:6958 - Mivacurium

ChEBI IDCHEBI:6958
ChEBI NameMivacurium
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC58H80N2O14
Net Charge+2
Average Mass1029.278
Monoisotopic Mass1028.55986
SMILES[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/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/q+2/b14-13+/t45-,46-,59?,60?/m1/s1
InChIKeyILVYCEVXHALBSC-OTBYEXOQSA-N
ChEBI Ontology
Outgoing Relation(s)
Mivacurium (CHEBI:6958) is a isoquinolines (CHEBI:24922)
Synonyms  Source
MivacuriumKEGG COMPOUND
mivacurium chlorideDrugCentral
Manual XrefsDatabases
C07550KEGG COMPOUND
1822DrugCentral
HMDB0015357HMDB
Registry NumbersSources
CAS:106791-40-6KEGG COMPOUND
CAS:133814-19-4DrugCentral