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Tebuconazole-[d9]

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Tebuconazole-[d9]

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General Information
Catalog: BLP-013095
CAS: 1246818-83-6
Molecular Formula: C16H13D9ClN3O
Molecular Weight: 316.87

Chemical Structure

Description	One of the labelled form of Tebuconazole, which is a triazole compound and has been found to be an ergosterol biosynthesis inhibitor.
Synonyms	Tebuconazole-(tert-butyl-d9); α-[2-(4-Chlorophenyl)ethyl]-α-(1,1-dimethylethyl-d9)-1H-1,2,4-triazole-1-ethanol; (+/-)-Tebuconazole-d9
IUPAC Name	5-(4-chlorophenyl)-1,1,1-trideuterio-3-(1,2,4-triazol-1-ylmethyl)-2,2-bis(trideuteriomethyl)pentan-3-ol
Related CAS	107534-96-3 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O
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/i1D3,2D3,3D3
InChI Key	XMNMQRDXWABCY-GQALSZNTSA-N
Purity	>95%
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	White to Pale Yellow Sticky Solid
Storage	Store at -20°C