Catalog Number:
AG008TGV
Chemical Name:
Icotinib (Hydrochloride)
CAS Number:
1204313-51-8
Molecular Formula:
C22H22ClN3O4
Molecular Weight:
427.8808
MDL Number:
MFCD22124500
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
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
InChI Key:
PNNGXMJMUUJHAV-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)Nc1ncnc2c1cc1OCCOCCOCCOc1c2.Cl
UNII:
JTD32I0J83
