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CHEBI:6996 - Morfamquat

Default Structure
ChEBI IDCHEBI:6996
ChEBI NameMorfamquat
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H36N4O4.2Cl
Net Charge0
Average Mass539.504
Monoisotopic Mass538.21136
SMILESCC1COCC(C)N1C(=O)C[n+]1ccc(-c2cc[n+](CC(=O)N3C(C)COCC3C)cc2)cc1.[Cl-].[Cl-]
InChIInChI=1S/C26H36N4O4.2ClH/c1-19-15-33-16-20(2)29(19)25(31)13-27-9-5-23(6-10-27)24-7-11-28(12-8-24)14-26(32)30-21(3)17-34-18-22(30)4;;/h5-12,19-22H,13-18H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyLVPGGWVHPIAEMC-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
Morfamquat (CHEBI:6996) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
MorfamquatKEGG COMPOUND
Morfamquat dichlorideKEGG COMPOUND
Manual XrefsDatabases
2443PPDB
C11194KEGG COMPOUND
Registry NumbersSources
CAS:4636-83-3KEGG COMPOUND