CHEBI:6959 - Mivacurium chloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Mivacurium chloride
ChEBI ID CHEBI:6959
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C58H80Cl2N2O14
C58H80N2O14.2Cl
Net Charge 0
Average Mass 1100.169
Monoisotopic Mass 1098.49866
InChI InChI=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
InChIKey WMSYWJSZGVOIJW-ONUALHDOSA-L
SMILES [C@@]1(C2=C(C=C(OC)C(=C2)OC)CC[N+]1(CCCOC(CC/C=C/CCC(OCCC[N+]3([C@@](C4=C(C=C(OC)C(=C4)OC)CC3)(CC=5C=C(C(OC)=C(C5)OC)OC)[H])C)=O)=O)C)(CC6=CC(=C(OC)C(=C6)OC)OC)[H].[Cl-].[Cl-]
ChEBI Ontology
Outgoing Mivacurium chloride (CHEBI:6959) is a isoquinolines (CHEBI:24922)
Synonyms Sources
Mivacron KEGG COMPOUND
Mivacurium chloride KEGG COMPOUND
Manual Xref Database
D00763 KEGG DRUG
View more database links
Registry Number Type Source
106861-44-3 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017