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Metabolic Research

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Thioridazine 5-Sulfoxide-[d3]

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General Information
Catalog: BLP-007422
CAS: 1330076-56-6
Molecular Formula: C21H23D3N2OS2
Molecular Weight: 389.60

Chemical Structure

Description	Thioridazine 5-Sulfoxide-[d3] is a labelled metabolite of Thioridazine, which is an inhibitor of CYP1A2 and CYP3A2.
Synonyms	10-{2-[1-(D3)methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-5λ4-phenothiazin-5-one
IUPAC Name	2-methylsulfanyl-10-[2-[1-(trideuteriomethyl)piperidin-2-yl]ethyl]phenothiazine 5-oxide
Related CAS	7776-05-8 (unlabelled)
Canonical SMILES	CN1CCCCC1CCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)SC
InChI	InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26(24)21-11-10-17(25-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/i1D3
InChI Key	XLDFFVBQCMLXIE-FIBGUPNXSA-N
Melting Point	105-112°C
Purity	>98%
Solubility	Soluble in Chloroform
Appearance	Pale Orange Solid
Storage	Store at -20°C