Desmethyl Erlotinib

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 Search

SMILES

Cl.COCCOC1=C(OCCO)C=C2C(NC3=CC=CC(=C3)C#C)=NC=NC2=C1

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C21H21N3O4
Molecular Weight	379.4091
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Epidermal growth factor receptor 49 Target ID: P00533\|\|\|Q9GZX1 Gene ID: 1956.0 Gene Symbol: EGFR Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/16381666 \| https://www.ncbi.nlm.nih.gov/pubmed/9354447	Inhibitor 8504

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:36:11 GMT 2025` Edited by `admin` on `Wed Apr 02 17:36:11 GMT 2025`
Record UNII	ZJ7FA2S8Q6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-[[4-[(3-Ethynylphenyl)amino]-7-(2-methoxyethoxy)-6-quinazolinyl]oxy]ethanol hydrochloride

Preferred Name

English

Desmethyl Erlotinib

Common 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 Wed Apr 02 17:36:11 GMT 2025 , Edited by admin on Wed Apr 02 17:36:11 GMT 2025

PRIMARY

EPA CompTox

DTXSID50596524

Created by admin on Wed Apr 02 17:36:11 GMT 2025 , Edited by admin on Wed Apr 02 17:36:11 GMT 2025

PRIMARY

CAS

183320-51-6

Created by admin on Wed Apr 02 17:36:11 GMT 2025 , Edited by admin on Wed Apr 02 17:36:11 GMT 2025

PRIMARY

PUBCHEM

18924996

Created by admin on Wed Apr 02 17:36:11 GMT 2025 , Edited by admin on Wed Apr 02 17:36:11 GMT 2025

PRIMARY

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