CHEBI:6900 - Metocurine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Metocurine
ChEBI ID CHEBI:6900
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C40H48N2O6
Net Charge +2
Average Mass 652.820
Monoisotopic Mass 652.35014
InChI InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1
InChIKey JFXBEKISTKFVAB-AJQTZOPKSA-N
SMILES COc1ccc2C[C@@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4Oc3ccc(C[C@H]4c5cc(Oc1c2)c(OC)cc5CC[N+]4(C)C)cc3
ChEBI Ontology
Outgoing Metocurine (CHEBI:6900) is a isoquinolines (CHEBI:24922)
Synonyms Sources
dimethyltubocurarine DrugCentral
dimethyltubocurarinium chloride DrugCentral
Metocurine KEGG COMPOUND
metocurine DrugCentral
metocurine iodide DrugCentral
trimethyltubocurarine iodide DrugCentral
Manual Xrefs Databases
908 DrugCentral
C07919 KEGG COMPOUND
View more database links
Registry Number Type Source
5152-30-7 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017