Icotinib hydrochlorideProduct ingredient for Icotinib
- Name
- Icotinib hydrochloride
- Drug Entry
- Icotinib
Icotinib is a potent and specific epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor (TKI) Icotinib was approved in China by the SFDA in June, 2011 and in January 2014, Beta Pharma, Inc. was given a “May Proceed” from the US FDA to conduct a Phase I study for the evaluation of icotinib as a treatment of EGFR+ Non-Small Cell Lung Cancer (NSCLC).
- Accession Number
- DBSALT002060
- Structure
Structure for Icotinib hydrochloride (DBSALT002060)
- Synonyms
- Icotinib HCl
- External IDs
- BPI-2009H
- UNII
- JTD32I0J83
- CAS Number
- 1204313-51-8
- Weight
- Average: 427.89
Monoisotopic: 427.1298839 - Chemical Formula
- C22H22ClN3O4
- InChI Key
- PNNGXMJMUUJHAV-UHFFFAOYSA-N
- 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
- IUPAC Name
- N-(3-ethynylphenyl)-7H,8H,10H,11H,13H,14H-1,4,7,10-tetraoxacyclododeca[2,3-g]quinazolin-4-amine hydrochloride
- SMILES
- Cl.C#CC1=CC=CC(NC2=NC=NC3=CC4=C(OCCOCCOCCO4)C=C23)=C1
- External Links
- ChemSpider
- 28637803
- Predicted Properties
Property Value Source Water Solubility 0.0126 mg/mL ALOGPS logP 2.88 ALOGPS logP 3.03 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 16.14 Chemaxon pKa (Strongest Basic) 4.62 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 74.73 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 105.82 m3·mol-1 Chemaxon Polarizability 42.03 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon