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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6F3N
Molecular Weight 161.1244
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(TRIFLUOROMETHYL)ANILINE

SMILES

NC1=CC=C(C=C1)C(F)(F)F

InChI

InChIKey=ODGIMMLDVSWADK-UHFFFAOYSA-N
InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2

HIDE SMILES / InChI

Molecular Formula C7H6F3N
Molecular Weight 161.1244
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
A novel synthesis of (E)-3-methylthio-3-substituted arylamino-2-cyanoacrylates under microwave irradiation.
2005 Oct 31
Spectrophotometric stability-indicating methods for the determination of leflunomide in the presence of its degradates.
2006 Nov-Dec
Synthesis and cytotoxicity studies of novel [1,2,4]triazolo[1,5-a]pyrimidine-7-amines.
2008 Jul
N-(2-Ferrocenylethyl-idene)-4-(trifluoro-meth-yl)aniline.
2009 Mar 28
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:06:02 GMT 2023
Edited
by admin
on Sat Dec 16 01:06:02 GMT 2023
Record UNII
RQJ623MB8G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(TRIFLUOROMETHYL)ANILINE
Systematic Name English
LEFLUNOMIDE RELATED COMPOUND A
USP   USP-RS  
Common Name English
P-(TRIFLUOROMETHYL)ANILINE
Systematic Name English
LEFLUNOMIDE IMPURITY A [EP IMPURITY]
Common Name English
4-TFMA
Common Name English
LEFLUNOMIDE RELATED COMPOUND A [USP IMPURITY]
Common Name English
(4-(TRIFLUOROMETHYL)PHENYL)AMINE
Systematic Name English
.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-P-TOLUIDINE
Common Name English
TERIFLUNOMIDE METABOLITE (4-TFMA)
Common Name English
NSC-10337
Code English
4-AMINOBENZOTRIFLUORIDE
Systematic Name English
BENZENAMINE, 4-(TRIFLUOROMETHYL)-
Systematic Name English
P-AMINOBENZOTRIFLUORIDE
Systematic Name English
LEFLUNOMIDE RELATED COMPOUND A [USP-RS]
Common Name English
Code System Code Type Description
NSC
10337
Created by admin on Sat Dec 16 01:06:03 GMT 2023 , Edited by admin on Sat Dec 16 01:06:03 GMT 2023
PRIMARY
FDA UNII
RQJ623MB8G
Created by admin on Sat Dec 16 01:06:03 GMT 2023 , Edited by admin on Sat Dec 16 01:06:03 GMT 2023
PRIMARY
PUBCHEM
9964
Created by admin on Sat Dec 16 01:06:03 GMT 2023 , Edited by admin on Sat Dec 16 01:06:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID5060013
Created by admin on Sat Dec 16 01:06:03 GMT 2023 , Edited by admin on Sat Dec 16 01:06:03 GMT 2023
PRIMARY
RS_ITEM_NUM
1357045
Created by admin on Sat Dec 16 01:06:03 GMT 2023 , Edited by admin on Sat Dec 16 01:06:03 GMT 2023
PRIMARY
ECHA (EC/EINECS)
207-236-5
Created by admin on Sat Dec 16 01:06:03 GMT 2023 , Edited by admin on Sat Dec 16 01:06:03 GMT 2023
PRIMARY
CHEBI
40750
Created by admin on Sat Dec 16 01:06:03 GMT 2023 , Edited by admin on Sat Dec 16 01:06:03 GMT 2023
PRIMARY
CAS
455-14-1
Created by admin on Sat Dec 16 01:06:03 GMT 2023 , Edited by admin on Sat Dec 16 01:06:03 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
4-TFMA was not detected in the single dose metabolism study, but was detected in very small amount after repeated dosing in clinical trials 4-TFMA plasma concentrations were measurable at relatively low concentrations after repeated teriflunomide doses of 7 mg (≤1.7 ng/mL) and 14 mg (≤5.31 ng/mL) for 468 weeks.
MINOR
PARENT -> METABOLITE
Leflunomide is metabolized to one primary (M1) and many minor metabolites. Of these minor metabolites, only 4-trifluoromethylaniline (TFMA) is quantifiable
MINOR
PLASMA
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
USP