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CHEBI:6901 - Metocurine iodide

ChEBI IDCHEBI:6901
ChEBI NameMetocurine iodide
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC40H48N2O6.2I
Net Charge0
Average Mass906.640
Monoisotopic Mass906.16018
SMILES[H][C@]12Cc3ccc(cc3)Oc3c(OC)c(OC)cc4c3[C@@]([H])(Cc3ccc(OC)c(c3)Oc3cc1c(cc3OC)CC[N+]2(C)C)[N+](C)(C)CC4.[I-].[I-]
InChIInChI=1S/C40H48N2O6.2HI/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;2*1H/q+2;;/p-2/t31-,32+;;/m0../s1
InChIKeyDIGFQJFCDPKEPF-OIUSMDOTSA-L
ChEBI Ontology
Outgoing Relation(s)
Metocurine iodide (CHEBI:6901) is a aromatic ether (CHEBI:35618)
Synonyms  Source
Metocurine iodideKEGG COMPOUND
Metubine iodideKEGG COMPOUND
Manual XrefsDatabases
D00761KEGG DRUG
Registry NumbersSources
CAS:7601-55-0KEGG COMPOUND