CHEBI:201450 - Icotinib hydrochloride

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Icotinib hydrochloride
ChEBI ID CHEBI:201450
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H21N3O4.ClH
Net Charge 0
Average Mass 427.890
Monoisotopic Mass 427.12988
InChI InChI=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
InChIKey PNNGXMJMUUJHAV-UHFFFAOYSA-N
SMILES Cl.O1C=2C(OCCOCCOCC1)=CC3=C(N=CN=C3C2)NC4=CC(C#C)=CC=C4
ChEBI Ontology
Outgoing 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
Manual Xref Database
28637803 ChemSpider
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