CHEBI:6028 - Isometamidium chloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Isometamidium chloride
ChEBI ID CHEBI:6028
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H26N7.Cl
Net Charge 0
Average Mass 496.007
Monoisotopic Mass 495.19382
InChI InChI=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
InChIKey QNZJTSGALAVCLH-UHFFFAOYSA-N
SMILES [Cl-].CC[n+]1c(-c2ccccc2)c2cc(N\N=N\c3cccc(c3)C(N)=N)ccc2c2ccc(N)cc12
ChEBI Ontology
Outgoing Isometamidium chloride (CHEBI:6028) is a organic molecular entity (CHEBI:50860)
Synonym Source
Isometamidium chloride KEGG COMPOUND
Manual Xref Database
C11201 KEGG COMPOUND
View more database links
Registry Number Type Source
34301-55-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014