3-Deschloro-3,4-difluoro gefitinib hydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H24F2N4O3.ClH
Molecular Weight	466.909
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Deschloro-3,4-difluoro gefitinib hydrochloride

Structure Search

SMILES

Cl.COC1=CC2=NC=NC(NC3=CC=C(F)C(F)=C3)=C2C=C1OCCCN4CCOCC4

InChI

InChIKey=LBEMHGIFEZUEFK-UHFFFAOYSA-N

InChI=1S/C22H24F2N4O3.ClH/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-17(23)18(24)11-15;/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27);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	C22H24F2N4O3
Molecular Weight	430.4478
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:37:41 GMT 2025` Edited by `admin` on `Wed Apr 02 17:37:41 GMT 2025`
Record UNII	X2X42FPR63
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Deschloro-3,4-difluoro gefitinib hydrochloride

Common Name

English

Gefitinib 3,4-difluoro impurity hydrochloride

Preferred Name

English

4-Quinazolinamine, N-(3,4-difluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-, monohydrochloride

Systematic Name

English

N-(3,4-difluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine hydrochloride

Systematic Name

English

4-Quinazolinamine, N-(3,4-difluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-, hydrochloride (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

X2X42FPR63

Created by admin on Wed Apr 02 17:37:41 GMT 2025 , Edited by admin on Wed Apr 02 17:37:41 GMT 2025

PRIMARY

PUBCHEM

169490782

Created by admin on Wed Apr 02 17:37:41 GMT 2025 , Edited by admin on Wed Apr 02 17:37:41 GMT 2025

PRIMARY

CAS

184475-68-1

Created by admin on Wed Apr 02 17:37:41 GMT 2025 , Edited by admin on Wed Apr 02 17:37:41 GMT 2025

PRIMARY

Related Record Type Details


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3-Deschloro-3,4-difluoro gefitinib

PARENT -> SALT/SOLVATE

Amount: