5-((4-((4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-METHOXYQUINAZOLIN-6-YL)AMINO)-4-OXOBUT-2-EN-1-YL)AMINO)PENTANOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H25ClFN5O4
Molecular Weight	501.938
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 5-((4-((4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-METHOXYQUINAZOLIN-6-YL)AMINO)-4-OXOBUT-2-EN-1-YL)AMINO)PENTANOIC ACID

Structure Search

SMILES

COC1=C(NC(=O)\C=C\CNCCCCC(O)=O)C=C2C(NC3=CC=C(F)C(Cl)=C3)=NC=NC2=C1

InChI

InChIKey=IWOSIKJINZPNOU-SNAWJCMRSA-N

InChI=1S/C24H25ClFN5O4/c1-35-21-13-19-16(24(29-14-28-19)30-15-7-8-18(26)17(25)11-15)12-20(21)31-22(32)5-4-10-27-9-3-2-6-23(33)34/h4-5,7-8,11-14,27H,2-3,6,9-10H2,1H3,(H,31,32)(H,33,34)(H,28,29,30)/b5-4+

HIDE SMILES / InChI

Molecular Formula	C24H25ClFN5O4
Molecular Weight	501.938
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 `Sat Dec 16 10:04:10 GMT 2023` Edited by `admin` on `Sat Dec 16 10:04:10 GMT 2023`
Record UNII	86YI5K0E85
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-((4-((4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-METHOXYQUINAZOLIN-6-YL)AMINO)-4-OXOBUT-2-EN-1-YL)AMINO)PENTANOIC ACID

Systematic Name

English

(E)-5-((4-((4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-METHOXYQUINAZOLIN-6-YL)AMINO)-4-OXOBUT-2-EN-1-YL)AMINO)PENTANOIC ACID

Systematic Name

English

DACOMITINIB METABOLITE M10

Common Name

English

Code System Code Type Description

FDA UNII

86YI5K0E85

Created by admin on Sat Dec 16 10:04:10 GMT 2023 , Edited by admin on Sat Dec 16 10:04:10 GMT 2023

PRIMARY

PUBCHEM

118796520

Created by admin on Sat Dec 16 10:04:10 GMT 2023 , Edited by admin on Sat Dec 16 10:04:10 GMT 2023

PRIMARY

Related Record Type Details


					2XJX250C20

DACOMITINIB ANHYDROUS

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

FECAL