N-DESMETHYL FLUMATINIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H27F3N8O
Molecular Weight	548.5622
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(NC2=NC=CC(=N2)C3=CC=CN=C3)C=C(NC(=O)C4=CC=C(CN5CCNCC5)C(=C4)C(F)(F)F)C=N1

InChI

InChIKey=SYEWLYMVOLLTHA-UHFFFAOYSA-N

InChI=1S/C28H27F3N8O/c1-18-25(38-27-34-8-6-24(37-27)20-3-2-7-33-15-20)14-22(16-35-18)36-26(40)19-4-5-21(23(13-19)28(29,30)31)17-39-11-9-32-10-12-39/h2-8,13-16,32H,9-12,17H2,1H3,(H,36,40)(H,34,37,38)

HIDE SMILES / InChI

Molecular Formula	C28H27F3N8O
Molecular Weight	548.5622
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:55:31 GMT 2023` Edited by `admin` on `Sat Dec 16 15:55:31 GMT 2023`
Record UNII	U342756MZ6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DESMETHYL FLUMATINIB

Common Name

English

BENZAMIDE, N-(6-METHYL-5-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)-3-PYRIDINYL)-4-(1-PIPERAZINYLMETHYL)-3-(TRIFLUOROMETHYL)-

Systematic Name

English

FLUMATINIB METABOLITE M1

Common Name

English

Code System Code Type Description

PUBCHEM

60202757

Created by admin on Sat Dec 16 15:55:32 GMT 2023 , Edited by admin on Sat Dec 16 15:55:32 GMT 2023

PRIMARY

FDA UNII

U342756MZ6

Created by admin on Sat Dec 16 15:55:32 GMT 2023 , Edited by admin on Sat Dec 16 15:55:32 GMT 2023

PRIMARY

CAS

1312165-54-0

Created by admin on Sat Dec 16 15:55:32 GMT 2023 , Edited by admin on Sat Dec 16 15:55:32 GMT 2023

PRIMARY

Related Record Type Details


					R4009Y24AI

FLUMBATINIB

PARENT -> METABOLITE

Qualification:

FECAL; PLASMA; URINE

Amount: