EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:6944 - Mirasan

Default Structure
ChEBI IDCHEBI:6944
ChEBI NameMirasan
Stars
Last Modified24 October 2014
DownloadsMolfile
FormulaC13H21ClN2
Net Charge0
Average Mass240.778
Monoisotopic Mass240.13933
SMILESCCN(CC)CCNc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H21ClN2/c1-4-16(5-2)9-8-15-12-7-6-11(3)13(14)10-12/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyPYCSFZRHAYWHQB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Mirasan (CHEBI:6944) is a monochlorobenzenes (CHEBI:83403)
Synonym  Source
MirasanKEGG COMPOUND
Manual XrefsDatabases
C11716KEGG COMPOUND
Registry NumbersSources
CAS:2519-75-7KEGG COMPOUND