(3,4-DIFLUORO-2-(2-FLUORO-4-IODO-ANILINO)PHENYL)-(3-HYDROXY-3-((2S)-1-OXOPIPERIDIN-1-IUM-2-YL)AZETIDIN-1-YL)METHANONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20F3IN3O3
Molecular Weight	546.3015
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	-1

SHOW SMILES / InChI

Structure of (3,4-DIFLUORO-2-(2-FLUORO-4-IODO-ANILINO)PHENYL)-(3-HYDROXY-3-((2S)-1-OXOPIPERIDIN-1-IUM-2-YL)AZETIDIN-1-YL)METHANONE

Structure Search

SMILES

[H][C@]1(CCCCN1[O-])C2(O)CN(C2)C(=O)C3=C(NC4=CC=C(I)C=C4F)C(F)=C(F)C=C3

InChI

InChIKey=JAJSNRMNZJICKM-KRWDZBQOSA-N

InChI=1S/C21H20F3IN3O3/c22-14-6-5-13(19(18(14)24)26-16-7-4-12(25)9-15(16)23)20(29)27-10-21(30,11-27)17-3-1-2-8-28(17)31/h4-7,9,17,26,30H,1-3,8,10-11H2/q-1/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H20F3IN3O3
Molecular Weight	546.3015
Charge	-1
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 14:57:20 GMT 2023` Edited by `admin` on `Sat Dec 16 14:57:20 GMT 2023`
Record UNII	N69Y48L5NP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3,4-DIFLUORO-2-(2-FLUORO-4-IODO-ANILINO)PHENYL)-(3-HYDROXY-3-((2S)-1-OXOPIPERIDIN-1-IUM-2-YL)AZETIDIN-1-YL)METHANONE

Systematic Name

English

COBIMETINIB METABOLITE M19

Common Name

English

Code System Code Type Description

PUBCHEM

155928928

Created by admin on Sat Dec 16 14:57:20 GMT 2023 , Edited by admin on Sat Dec 16 14:57:20 GMT 2023

PRIMARY

FDA UNII

N69Y48L5NP

Created by admin on Sat Dec 16 14:57:20 GMT 2023 , Edited by admin on Sat Dec 16 14:57:20 GMT 2023

PRIMARY

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COBIMETINIB

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