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CHEBI:177531 - Liafensine

Default Structure
ChEBI IDCHEBI:177531
ChEBI NameLiafensine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22N4
Net Charge0
Average Mass366.468
Monoisotopic Mass366.18445
SMILESCN1Cc2cc(-c3ccc(N)nn3)ccc2[C@H](c2ccc3ccccc3c2)C1
InChIInChI=1S/C24H22N4/c1-28-14-20-13-19(23-10-11-24(25)27-26-23)8-9-21(20)22(15-28)18-7-6-16-4-2-3-5-17(16)12-18/h2-13,22H,14-15H2,1H3,(H2,25,27)/t22-/m0/s1
InChIKeyVCIBGDSRPUOBOG-QFIPXVFZSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Liafensine (CHEBI:177531) is a isoquinolines (CHEBI:24922)
IUPAC Name 
6-[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine
Manual XrefsDatabases
29271896ChemSpider
D10443KEGG DRUG
DB14878DrugBank
Registry NumbersSources
CAS:1198790-53-2ChemIDplus