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CHEBI:6028 - Isometamidium chloride

Default Structure
ChEBI IDCHEBI:6028
ChEBI NameIsometamidium chloride
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC28H26N7.Cl
Net Charge0
Average Mass496.018
Monoisotopic Mass495.19382
SMILESCC[n+]1c(-c2ccccc2)c2cc(N/N=N/c3cccc(C(=N)N)c3)ccc2c2ccc(N)cc21.[Cl-]
InChIInChI=1S/C28H25N7.ClH/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31;/h3-17,29H,2H2,1H3,(H4,30,31,32,33);1H
InChIKeyQNZJTSGALAVCLH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isometamidium chloride (CHEBI:6028) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Isometamidium chlorideKEGG COMPOUND
Manual XrefsDatabases
C11201KEGG COMPOUND
Registry NumbersSources
CAS:34301-55-8KEGG COMPOUND