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

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Identification
Name 2,2'-[{4-[(3-Ethynylphenyl)Amino]-6,7-Quinazolinediyl}Bis(Oxy)]Diethanol Hydrochloride (1:1)
Synonyms Didesmethyl Erlotinib Hydrochloride Salt
Molecular Structure CAS#: 183320-12-9, 2,2'-[{4-[(3-Ethynylphenyl)Amino]-6,7-Quinazolinediyl}Bis(Oxy)]Diethanol Hydrochloride (1:1)
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.)
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