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Litoxetine-[13C2,d4] benzoate salt

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Litoxetine-[13C2,d4] benzoate salt

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General Information
Catalog: BLP-004351
Molecular Formula: C21[13C]2H21D4NO3
Molecular Weight: 369.46

Chemical Structure

Description	Litoxetine-[13C2,d4] benzoate salt is the labelled analogue of Litoxetine benzoate salt. Litoxetine is a selective serotonin reuptake inhibitor used as an antidepressant.
Synonyms	Litoxetine-13C2,D4 benzoate salt; 4-(2-Naphthylmethoxy)piperidine 13C2,D4 benzoate salt
IUPAC Name	benzoic acid;2,2,6,6-tetradeuterio-4-(naphthalen-2-ylmethoxy)(2,6-13C2)azinane
Related CAS	86811-09-8 (unlabelled free base)
Canonical SMILES	C1CNCCC1OCC2=CC3=CC=CC=C3C=C2.C1=CC=C(C=C1)C(=O)O
InChI	InChI=1S/C16H19NO.C7H6O2/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16;8-7(9)6-4-2-1-3-5-6/h1-6,11,16-17H,7-10,12H2;1-5H,(H,8,9)/i9+1D2,10+1D2;
InChI Key	XALIHSKERZFMMK-CRKWFOGDSA-N
Purity	98% by CP