2,2'-[{4-[(3-Ethynylphenyl)Amino]-6,7-Quinazolinediyl}Bis(Oxy)]Diethanol Hydrochloride (1:1)
[CAS# 183320-12-9]

Identification

• Name: 2,2'-[{4-[(3-Ethynylphenyl)Amino]-6,7-Quinazolinediyl}Bis(Oxy)]Diethanol Hydrochloride (1:1)
• Synonyms: Didesmethyl Erlotinib Hydrochloride Salt
• Molecular Formula: C₂₀H₂₀ClN₃O₄
• Molecular Weight: 401.84
• CAS Registry Number: 183320-12-9
• SMILES: Cl.C#Cc1cc(ccc1)Nc3ncnc2cc(OCCO)c(cc23)OCCO
• InChI: 1S/C20H19N3O4.ClH/c1-2-14-4-3-5-15(10-14)23-20-16-11-18(26-8-6-24)19(27-9-7-25)12-17(16)21-13-22-20;/h1,3-5,10-13,24-25H,6-9H2,(H,21,22,23);1H
• InChIKey: CUXTVYBENQCZOP-UHFFFAOYSA-N

Properties

• Boiling point: 614.7°C at 760 mmHg (Cal.)
• Flash point: 325.5°C (Cal.)
• Refractive index: (Cal.)