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Details

Stereochemistry ACHIRAL
Molecular Formula C21H21N3O4.ClH
Molecular Weight 415.87
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Desmethyl Erlotinib

SMILES

Cl.COCCOC1=CC2=C(C=C1OCCO)C(NC3=CC(=CC=C3)C#C)=NC=N2

InChI

InChIKey=BUOXOWNQZVIETJ-UHFFFAOYSA-N
InChI=1S/C21H21N3O4.ClH/c1-3-15-5-4-6-16(11-15)24-21-17-12-19(27-8-7-25)20(28-10-9-26-2)13-18(17)22-14-23-21;/h1,4-6,11-14,25H,7-10H2,2H3,(H,22,23,24);1H

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P00533|||Q9GZX1
Gene ID: 1956.0
Gene Symbol: EGFR
Target Organism: Homo sapiens (Human)
Name Type Language
Desmethyl Erlotinib
Common Name English
2-[[4-[(3-Ethynylphenyl)amino]-7-(2-methoxyethoxy)-6-quinazolinyl]oxy]ethanol hydrochloride
Systematic Name English
Ethanol, 2-[[4-[(3-ethynylphenyl)amino]-7-(2-methoxyethoxy)-6-quinazolinyl]oxy]-, monohydrochloride
Systematic Name English
Ethanol, 2-[[4-[(3-ethynylphenyl)amino]-7-(2-methoxyethoxy)-6-quinazolinyl]oxy]-, hydrochloride
Systematic Name English
Code System Code Type Description
FDA UNII
ZJ7FA2S8Q6
Created by admin on Sat Dec 16 19:53:40 GMT 2023 , Edited by admin on Sat Dec 16 19:53:40 GMT 2023
PRIMARY
CAS
183320-51-6
Created by admin on Sat Dec 16 19:53:40 GMT 2023 , Edited by admin on Sat Dec 16 19:53:40 GMT 2023
PRIMARY
PUBCHEM
18924996
Created by admin on Sat Dec 16 19:53:40 GMT 2023 , Edited by admin on Sat Dec 16 19:53:40 GMT 2023
PRIMARY