3-AZETIDINEPENTANOIC ACID, 1-(3,4-DIFLUORO-2-((2-FLUORO-4-IODOPHENYL)AMINO)BENZOYL)-.DELTA.,3-DIHYDROXY-

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H20F3IN2O5
Molecular Weight	564.2936
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-AZETIDINEPENTANOIC ACID, 1-(3,4-DIFLUORO-2-((2-FLUORO-4-IODOPHENYL)AMINO)BENZOYL)-.DELTA.,3-DIHYDROXY-

Structure Search

SMILES

OC(CCCC(O)=O)C1(O)CN(C1)C(=O)C2=CC=C(F)C(F)=C2NC3=CC=C(I)C=C3F

InChI

InChIKey=KGPLBTZFBMHXPQ-UHFFFAOYSA-N

InChI=1S/C21H20F3IN2O5/c22-13-6-5-12(19(18(13)24)26-15-7-4-11(25)8-14(15)23)20(31)27-9-21(32,10-27)16(28)2-1-3-17(29)30/h4-8,16,26,28,32H,1-3,9-10H2,(H,29,30)

HIDE SMILES / InChI

Molecular Formula	C21H20F3IN2O5
Molecular Weight	564.2936
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 00:38:55 GMT 2025` Edited by `admin` on `Wed Apr 02 00:38:55 GMT 2025`
Record UNII	TJS4VN7FAM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COBIMETINIB METABOLITE M37, M40

Preferred Name

English

3-AZETIDINEPENTANOIC ACID, 1-(3,4-DIFLUORO-2-((2-FLUORO-4-IODOPHENYL)AMINO)BENZOYL)-.DELTA.,3-DIHYDROXY-

Systematic Name

English

Code System Code Type Description

PUBCHEM

156596518

Created by admin on Wed Apr 02 00:38:55 GMT 2025 , Edited by admin on Wed Apr 02 00:38:55 GMT 2025

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CAS

2171498-56-7

Created by admin on Wed Apr 02 00:38:55 GMT 2025 , Edited by admin on Wed Apr 02 00:38:55 GMT 2025

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FDA UNII

TJS4VN7FAM

Created by admin on Wed Apr 02 00:38:55 GMT 2025 , Edited by admin on Wed Apr 02 00:38:55 GMT 2025

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