TRIFLUOROMETHYL TOLUIDINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H8F3N
Molecular Weight	175.151
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(C=CC=C1N)C(F)(F)F

InChI

InChIKey=TWLDBACVSHADLI-UHFFFAOYSA-N

InChI=1S/C8H8F3N/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2-4H,12H2,1H3

HIDE SMILES / InChI

Molecular Formula	C8H8F3N
Molecular Weight	175.151
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26588360 | http://www.google.co.in/patents/EP1446382B1 | https://rochemintl.com/wp-content/uploads/Flunixin-Meglumine-USP-EP-400181-000.pdf

2-methyl-3-(trifluoromethyl)benzenamine is a nonsteroidal anti-inflammatory drug Flunixin commercial preparation impurity (less than 0.2%). As intermediate, it is used in the synthesis of anthranilic acid amides with VEGF receptor tyrosine kinase inhibition properties. Also, it is a reactant in the synthesis of methylguanidine derivatives as prospective PET radioligands for the open channel of the NMDA receptor.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
N'-3-(Trifluoromethyl)phenyl Derivatives of N-Aryl-N'-methylguanidines as Prospective PET Radioligands for the Open Channel of the N-Methyl-d-aspartate (NMDA) Receptor: Synthesis and Structure-Affinity Relationships.	2015 Dec 24	26588360

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:07:16 GMT 2023` Edited by `admin` on `Fri Dec 15 19:07:16 GMT 2023`
Record UNII	569607266B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIFLUOROMETHYL TOLUIDINE

Common Name

English

2-METHYL-3-AMINOBENZOTRIFLUORIDE

Common Name

English

BENZENAMINE, 2-METHYL-3-(TRIFLUOROMETHYL)-

Systematic Name

English

2-AMINO-6-(TRIFLUOROMETHYL)TOLUENE

Systematic Name

English

FLUNIXIN RELATED COMPOUND B [USP-RS]

Common Name

English

2-METHYL-3-(TRIFLUOROMETHYL)PHENYLAMINE

Systematic Name

English

2-METHYL-3-(TRIFLUOROMETHYL)ANILINE

Systematic Name

English

2-METHYL-3-(TRIFLUOROMETHYL)BENZENAMINE

Systematic Name

English

3-(TRIFLUOROMETHYL)-2-METHYLBENZENAMINE

Systematic Name

English

FLUNIXIN MEGLUMINE IMPURITY B [EP IMPURITY]

Common Name

English

FLUNIXIN RELATED COMPOUND B [USP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

2735932