U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C18H14F3N3O5S
Molecular Weight 441.381
Optical Activity ( + / - )
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Toltrazuril sulfoxide

SMILES

CN1C(=O)NC(=O)N(C1=O)C2=CC=C(OC3=CC=C(C=C3)S(=O)C(F)(F)F)C(C)=C2

InChI

InChIKey=QWKYIPKCLAUFCM-UHFFFAOYSA-N
InChI=1S/C18H14F3N3O5S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)29-12-4-6-13(7-5-12)30(28)18(19,20)21/h3-9H,1-2H3,(H,22,25,26)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-methyl-3-[3-methyl-4-[4-[(trifluoromethyl)sulfinyl]phenoxy]phenyl]-
Preferred Name English
Toltrazuril sulfoxide
Common Name English
1-Methyl-3-[3-methyl-4-[4-(trifluoromethylsulfinyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
Systematic Name English
1-Methyl-3-[3-methyl-4-[4-[(trifluoromethyl)sulfinyl]phenoxy]phenyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Systematic Name English
Code System Code Type Description
FDA UNII
72EYQ9ABX2
Created by admin on Wed Apr 02 17:55:45 GMT 2025 , Edited by admin on Wed Apr 02 17:55:45 GMT 2025
PRIMARY
CAS
69004-15-5
Created by admin on Wed Apr 02 17:55:45 GMT 2025 , Edited by admin on Wed Apr 02 17:55:45 GMT 2025
PRIMARY
PUBCHEM
10297065
Created by admin on Wed Apr 02 17:55:45 GMT 2025 , Edited by admin on Wed Apr 02 17:55:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID70437844
Created by admin on Wed Apr 02 17:55:45 GMT 2025 , Edited by admin on Wed Apr 02 17:55:45 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966