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Sertraline-[13C6] hydrochloride

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General Information
Catalog: BLP-001401
Molecular Formula: C11[13C]6H18Cl3N
Molecular Weight: 348.65

Chemical Structure

Description	Sertraline-[13C6] hydrochloride is the isotopic hydrochloride compound of Sertraline. Sertraline hydrochloride is a 5-HT antagonist with Ki of 13 nM.
IUPAC Name	(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
Related CAS	79559-97-0 (unlabelled)
Canonical SMILES	CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl
InChI	InChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H/t12-,17-;/m0./s1/i2+1,3+1,4+1,5+1,13+1,14+1;
InChI Key	BLFQGGGGFNSJKA-WVCMSYRKSA-N
Purity	98%; 99% atom 13C
Appearance	Off-white to white solid