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Sertaconazole-[d6]

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General Information
Catalog: BLP-004223
CAS: 1330261-47-6
Molecular Formula: C20H9D6Cl3N2OS
Molecular Weight: 443.81

Chemical Structure

Description	Sertaconazole-[d6] is an isotope compound of Sertaconazole which is an imidazole antifungal agent, inhibits the synthesis of ergosterol, an essential cell wall component of fungi.
Synonyms	1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)(2H3)ethyl}(2H3)-1H-imidazole; 1-[2-[(7-Chlorobenzo[b]thien-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole-d6; FI 7045-d6
IUPAC Name	1-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-1,1,2-trideuterio-2-(2,4-dichlorophenyl)ethyl]-2,4,5-trideuterioimidazole
Related CAS	99592-32-2 (unlabelled)
Isomeric SMILES	[2H]C1=C(N(C(=N1)[2H])C([2H])([2H])C([2H])(C2=C(C=C(C=C2)Cl)Cl)OCC3=CSC4=C3C=CC=C4Cl)[2H]
Canonical SMILES	C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI	InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/i6D,7D,9D2,12D,19D
InChI Key	JLGKQTAYUIMGRK-KXPIIPBPSA-N
Melting Point	145-147°C
Purity	>98%
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White to Off-white Solid
Storage	Store at-20°C