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CHEBI:201450 - Icotinib hydrochloride

ChEBI IDCHEBI:201450
ChEBI NameIcotinib hydrochloride
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SubmitterMetaboLights
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FormulaC22H21N3O4.HCl
Net Charge0
Average Mass427.888
Monoisotopic Mass427.12988
SMILESC#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1.Cl
InChIInChI=1S/C22H21N3O4.ClH/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20;/h1,3-5,12-15H,6-11H2,(H,23,24,25);1H
InChIKeyPNNGXMJMUUJHAV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Icotinib hydrochloride (CHEBI:201450) is a quinazolines (CHEBI:38530)
IUPAC Name 
N-(3-ethynylphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine;hydrochloride
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