2-PIPERIDINONE, 6-(1-(3,4-DIFLUORO-2-((2-FLUORO-4-IODOPHENYL)AMINO)BENZOYL)-3-HYDROXY-3-AZETIDINYL)-, (6S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H19F3IN3O3
Molecular Weight	545.2935
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-PIPERIDINONE, 6-(1-(3,4-DIFLUORO-2-((2-FLUORO-4-IODOPHENYL)AMINO)BENZOYL)-3-HYDROXY-3-AZETIDINYL)-, (6S)-

Structure Search

SMILES

[H][C@]1(CCCC(=O)N1)C2(O)CN(C2)C(=O)C3=C(NC4=CC=C(I)C=C4F)C(F)=C(F)C=C3

InChI

InChIKey=QXRIOLZNVSNLHV-INIZCTEOSA-N

InChI=1S/C21H19F3IN3O3/c22-13-6-5-12(19(18(13)24)26-15-7-4-11(25)8-14(15)23)20(30)28-9-21(31,10-28)16-2-1-3-17(29)27-16/h4-8,16,26,31H,1-3,9-10H2,(H,27,29)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H19F3IN3O3
Molecular Weight	545.2935
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:12:02 GMT 2023` Edited by `admin` on `Sat Dec 16 18:12:02 GMT 2023`
Record UNII	5PJG2TV7UK
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-PIPERIDINONE, 6-(1-(3,4-DIFLUORO-2-((2-FLUORO-4-IODOPHENYL)AMINO)BENZOYL)-3-HYDROXY-3-AZETIDINYL)-, (6S)-

Systematic Name

English

COBIMETINIB METABOLITE M12

Common Name

English

Code System Code Type Description

PUBCHEM

156028148

Created by admin on Sat Dec 16 18:12:03 GMT 2023 , Edited by admin on Sat Dec 16 18:12:03 GMT 2023

PRIMARY

FDA UNII

5PJG2TV7UK

Created by admin on Sat Dec 16 18:12:03 GMT 2023 , Edited by admin on Sat Dec 16 18:12:03 GMT 2023

PRIMARY

CAS

2171520-22-0

Created by admin on Sat Dec 16 18:12:03 GMT 2023 , Edited by admin on Sat Dec 16 18:12:03 GMT 2023

PRIMARY

Related Record Type Details


					ER29L26N1X

COBIMETINIB

PARENT -> METABOLITE