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Tebuconazole-[d6]

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General Information
Catalog: BLP-004560
Molecular Formula: C16H16D6ClN3O
Molecular Weight: 313.86

Chemical Structure

Description	Labelled Tebuconazole. Tebuconazole, a triazole compound, has been found to be an ergosterol biosynthesis inhibitor.
Synonyms	α-[2-(4-chlorophenyl)ethyl-1,1-d2]-α-(1,1-dimethylethyl)-1H-1,2,4-Triazole-3,5-d2-1-ethan-β,β-d2-ol
IUPAC Name	1-(4-chlorophenyl)-2,2-dideuterio-3-[dideuterio-(3,5-dideuterio-1,2,4-triazol-1-yl)methyl]-4,4-dimethylpentan-3-ol
Related CAS	107534-96-3 (unlabelled)
Canonical SMILES	CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O
InChI	InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/i9D2,10D2,11D,12D
InChI Key	PXMNMQRDXWABCY-AAYWWIQBSA-N
Purity	>98%
Solubility	Soluble in Acetone