(2S,3S,4S,5R,6S)-6-(1-(3,4-DIFLUORO-2-(2-FLUORO-4-IODO-ANILINO)BENZOYL)-3-((2S)-2-PIPERIDYL)AZETIDIN-3-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H29F3IN3O8
Molecular Weight	707.4341
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-6-(1-(3,4-DIFLUORO-2-(2-FLUORO-4-IODO-ANILINO)BENZOYL)-3-((2S)-2-PIPERIDYL)AZETIDIN-3-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2(CN(C2)C(=O)C3=CC=C(F)C(F)=C3NC4=CC=C(I)C=C4F)[C@@H]5CCCCN5)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=BBXZZGTYQBCWCM-FWASUNJRSA-N

InChI=1S/C27H29F3IN3O8/c28-14-6-5-13(19(18(14)30)33-16-7-4-12(31)9-15(16)29)24(38)34-10-27(11-34,17-3-1-2-8-32-17)42-26-22(37)20(35)21(36)23(41-26)25(39)40/h4-7,9,17,20-23,26,32-33,35-37H,1-3,8,10-11H2,(H,39,40)/t17-,20-,21-,22+,23-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H29F3IN3O8
Molecular Weight	707.4341
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 21:34:11 GMT 2025` Edited by `admin` on `Tue Apr 01 21:34:11 GMT 2025`
Record UNII	2LN825UA70
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(2S,3S,4S,5R,6S)-6-(1-(3,4-DIFLUORO-2-(2-FLUORO-4-IODO-ANILINO)BENZOYL)-3-((2S)-2-PIPERIDYL)AZETIDIN-3-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

COBIMETINIB METABOLITE M15

Preferred Name

English

Code System Code Type Description

FDA UNII

2LN825UA70

Created by admin on Tue Apr 01 21:34:11 GMT 2025 , Edited by admin on Tue Apr 01 21:34:11 GMT 2025

PRIMARY

PUBCHEM

131635467

Created by admin on Tue Apr 01 21:34:11 GMT 2025 , Edited by admin on Tue Apr 01 21:34:11 GMT 2025

PRIMARY

Related Record Type Details


					ER29L26N1X

COBIMETINIB

PARENT -> CONJUGATE