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CHEBI:228537 - Vatalanib dihydrochloride

ChEBI IDCHEBI:228537
ChEBI NameVatalanib dihydrochloride
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H15ClN4.2HCl
Net Charge0
Average Mass419.743
Monoisotopic Mass418.05188
SMILESCl.Cl.Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
InChIInChI=1S/C20H15ClN4.2ClH/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14;;/h1-12H,13H2,(H,23,25);2*1H
InChIKeyAZUQEHCMDUSRLH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
Vatalanib dihydrochloride (CHEBI:228537) is a phthalazines (CHEBI:38768)
IUPAC Name 
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;dihydrochloride
Manual XrefsDatabases
11384157ChemSpider