CHEBI:6901 - Metocurine iodide

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ChEBI Name Metocurine iodide
ChEBI ID CHEBI:6901
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C40H48I2N2O6
C40H48N2O6.2I
Net Charge 0
Average Mass 906.629
Monoisotopic Mass 906.16018
InChI InChI=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
InChIKey DIGFQJFCDPKEPF-OIUSMDOTSA-L
SMILES [I-].[I-].C=12[C@@]3([N+](C)(CCC1C=C(C(=C2OC4=CC=C(C=C4)C[C@@]5([N+](CCC6=C5C=C(OC=7C(OC)=CC=C(C3)C7)C(=C6)OC)(C)C)[H])OC)OC)C)[H]
ChEBI Ontology
Outgoing Metocurine iodide (CHEBI:6901) is a aromatic ether (CHEBI:35618)
Synonyms Sources
Metocurine iodide KEGG COMPOUND
Metubine iodide KEGG COMPOUND
Manual Xref Database
D00761 KEGG DRUG
View more database links
Registry Number Type Source
7601-55-0 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017