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Toltrazuril-[d3]

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General Information
Catalog: BLP-012631
CAS: 1353867-75-0
Molecular Formula: C18H11D3F3N3O4S
Molecular Weight: 428.4

Chemical Structure

Description	Toltrazuril-[d3] is the labelled analogue of Toltrazuril. Toltrazuril has been found to be an antiprotazoal agent and could be used against Equine Protozoal Myeloencephalitis.
Synonyms	Toltrazuril D3; 1-Methyl-3-[3-methyl-4-[4-[(trifluoromethyl)thio]phenoxy]phenyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione-d3
IUPAC Name	1-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-3-(trideuteriomethyl)-1,3,5-triazinane-2,4,6-trione
Related CAS	69004-03-1 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])N1C(=O)NC(=O)N(C1=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)SC(F)(F)F)C
Canonical SMILES	CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)SC(F)(F)F
InChI	InChI=1S/C18H14F3N3O4S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)28-12-4-6-13(7-5-12)29-18(19,20)21/h3-9H,1-2H3,(H,22,25,26)/i2D3
InChI Key	OCINXEZVIIVXFU-BMSJAHLVSA-N
Purity	95% by HPLC; 98% atom D
Density	1.5±0.1 g/cm3