GEFITINIB-2,5-CYCLOHEXADIEN-1-ONE, 2-CHLORO-4-IMINO-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H23ClN4O4
Molecular Weight	442.8962
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of GEFITINIB-2,5-CYCLOHEXADIEN-1-ONE, 2-CHLORO-4-IMINO-

Structure Search

SMILES

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)/N=C\4/C=CC(=O)C(=C4)Cl

InChI

InChIKey=YURIGVDTQCDCHI-YSMPRRRNSA-N

InChI=1S/C22H23ClN4O4/c1-29-20-13-18-16(12-21(20)31-8-2-5-27-6-9-30-10-7-27)22(25-14-24-18)26-15-3-4-19(28)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3/b26-15-

HIDE SMILES / InChI

Molecular Formula	C22H23ClN4O4
Molecular Weight	442.8962
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Jun 25 20:32:25 UTC 2021` Edited by `admin` on `Fri Jun 25 20:32:25 UTC 2021`
Record UNII	MNV6L4WJV9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GEFITINIB-2,5-CYCLOHEXADIEN-1-ONE, 2-CHLORO-4-IMINO-

Common Name

English

(4Z)-2-CHLORO-4-(7-METHOXY-6-(3-MORPHOLINOPROPOXY)QUINAZOLIN-4-YL)IMINO-CYCLOHEXA-2,5-DIEN-1-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

MNV6L4WJV9

Created by admin on Fri Jun 25 20:32:25 UTC 2021 , Edited by admin on Fri Jun 25 20:32:25 UTC 2021

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Related Record Type Details


					S65743JHBS

GEFITINIB

PARENT -> METABOLITE

Comments:

Produced thru Defluorination/hydroxylation.