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Vortioxetine Sulfoxide-[d8] Fumarate

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General Information
Catalog: BLP-007625
Molecular Formula: C22H18D8N2O5S
Molecular Weight: 438.56

Chemical Structure

Description	Vortioxetine Sulfoxide-[d8] Fumarate is a labelled impurity of Vortioxetine. Vortioxetine is a multimodal serotonergic agent that inhibits 5-HT1A, 5-HT1B, 5-HT3A, 5-HT7 receptor and SERT with IC50 of 15 nM, 33 nM, 3.7 nM, 19 nM and 1.6 nM, respectively.
Synonyms	1-[2-[(2,4-Dimethylphenyl)sulfinyl]phenyl]-piperazine-d8 Fumarate
IUPAC Name	(E)-but-2-enedioic acid;2,2,3,3,5,5,6,6-octadeuterio-1-[2-(2,4-dimethylphenyl)sulfinylphenyl]piperazine
Related CAS	1429908-35-9 (unlabelled free base)
Canonical SMILES	CC1=CC(=C(C=C1)S(=O)C2=CC=CC=C2N3CCNCC3)C.C(=CC(=O)O)C(=O)O
InChI	InChI=1S/C18H22N2OS.C4H4O4/c1-14-7-8-17(15(2)13-14)22(21)18-6-4-3-5-16(18)20-11-9-19-10-12-20;5-3(6)1-2-4(7)8/h3-8,13,19H,9-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/i9D2,10D2,11D2,12D2;
InChI Key	LIXTVDOIIQUMTR-SMODUGIXSA-N
Purity	>98%