N-OXIDE FLUMATINIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H29F3N8O2
Molecular Weight	578.5882
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(CN5CC[N+](C)([O-])CC5)C(=C4)C(F)(F)F)C=N1

InChI

InChIKey=OCOUZGNVXUZWGP-UHFFFAOYSA-N

InChI=1S/C29H29F3N8O2/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-39-10-12-40(2,42)13-11-39/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38)

HIDE SMILES / InChI

Molecular Formula	C29H30F3N8O2
Molecular Weight	579.5961
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 16:18:29 GMT 2023` Edited by `admin` on `Sat Dec 16 16:18:29 GMT 2023`
Record UNII	UU3MFQ03H2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-OXIDE FLUMATINIB

Common Name

English

FLUMATINIB METABOLITE M2-9

Common Name

English

4-((4-METHYL-4-OXIDO-PIPERAZIN-4-IUM-1-YL)METHYL)-N-(6-METHYL-5-((4-(3-PYRIDYL)PYRIMIDIN-2-YL)AMINO)-3-PYRIDYL)-3-(TRIFLUOROMETHYL)BENZAMIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

154584902

Created by admin on Sat Dec 16 16:18:29 GMT 2023 , Edited by admin on Sat Dec 16 16:18:29 GMT 2023

PRIMARY

FDA UNII

UU3MFQ03H2

Created by admin on Sat Dec 16 16:18:29 GMT 2023 , Edited by admin on Sat Dec 16 16:18:29 GMT 2023

PRIMARY

Related Record Type Details


					R4009Y24AI

FLUMBATINIB

PARENT -> METABOLITE

Qualification:

FECAL; PLASMA; URINE

Amount: