2-AMINO-3-(3-((4-(3-CHLORO-4-FLUORO-ANILINO)-7-((3S)-TETRAHYDROFURAN-3-YL)OXY-QUINAZOLIN-6-YL)AMINO)-1-(DIMETHYLAMINOMETHYL)-3-OXO-PROPYL)SULFANYL-PROPANOIC ACID, (2R)-

Details

Stereochemistry	UNKNOWN
Molecular Formula	C27H32ClFN6O5S
Molecular Weight	607.097
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-AMINO-3-(3-((4-(3-CHLORO-4-FLUORO-ANILINO)-7-((3S)-TETRAHYDROFURAN-3-YL)OXY-QUINAZOLIN-6-YL)AMINO)-1-(DIMETHYLAMINOMETHYL)-3-OXO-PROPYL)SULFANYL-PROPANOIC ACID, (2R)-

Structure Search

SMILES

CN(C)CC(CC(=O)NC1=CC2=C(NC3=CC(Cl)=C(F)C=C3)N=CN=C2C=C1O[C@H]4CCOC4)SC[C@H](N)C(O)=O

InChI

InChIKey=JWDZHSCYKMQHLE-RFXBXZJJSA-N

InChI=1S/C27H32ClFN6O5S/c1-35(2)11-17(41-13-21(30)27(37)38)8-25(36)34-23-9-18-22(10-24(23)40-16-5-6-39-12-16)31-14-32-26(18)33-15-3-4-20(29)19(28)7-15/h3-4,7,9-10,14,16-17,21H,5-6,8,11-13,30H2,1-2H3,(H,34,36)(H,37,38)(H,31,32,33)/t16-,17?,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H32ClFN6O5S
Molecular Weight	607.097
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:24:37 GMT 2025` Edited by `admin` on `Mon Mar 31 22:24:37 GMT 2025`
Record UNII	7M1HA8EU67
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AFATINIB CYSTEINYL METABOLITE

Preferred Name

English

2-AMINO-3-(3-((4-(3-CHLORO-4-FLUORO-ANILINO)-7-((3S)-TETRAHYDROFURAN-3-YL)OXY-QUINAZOLIN-6-YL)AMINO)-1-(DIMETHYLAMINOMETHYL)-3-OXO-PROPYL)SULFANYL-PROPANOIC ACID, (2R)-

Common Name

English

AFATINIB METABOLITE M4

Common Name

English

(2R)-2-AMINO-3-(3-((4-(3-CHLORO-4-FLUORO-ANILINO)-7-((3S)-TETRAHYDROFURAN-3-YL)OXY-QUINAZOLIN-6-YL)AMINO)-1-(DIMETHYLAMINOMETHYL)-3-OXO-PROPYL)SULFANYL-PROPANOIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

121490264

Created by admin on Mon Mar 31 22:24:37 GMT 2025 , Edited by admin on Mon Mar 31 22:24:37 GMT 2025

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FDA UNII

7M1HA8EU67

Created by admin on Mon Mar 31 22:24:37 GMT 2025 , Edited by admin on Mon Mar 31 22:24:37 GMT 2025

PRIMARY