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rac-trans-N-Desmethyl sertraline-[d3] hydrochloride

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General Information
Catalog: BLP-000412
Molecular Formula: C16H13D3Cl3N
Molecular Weight: 331.68

Chemical Structure

Description	rac-trans-N-Desmethyl sertraline-[d3] hydrochloride is the labelled analogue of rac-trans-N-Desmethyl sertraline hydrochloride, which is a metabolite of Sertraline.
Synonyms	rac-trans-N-Desmethyl sertraline-d3 hydrochloride; trans-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine-d3 Hydrochloride; (±)-trans-N-Desmethylsertraline-1,2,2-d3 Hydrochloride; (±)-trans-Norsertraline HCl
IUPAC Name	(1R,4S)-1,2,2-trideuterio-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-amine;hydrochloride
Related CAS	1310676-34-6 (unlabelled rel-isomer) 675126-08-6 (unlabelled) 675126-05-3 (unlabelled free base)
Canonical SMILES	C1CC(C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl)N.Cl
InChI	InChI=1S/C16H15Cl2N.ClH/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13;/h1-5,7,9,11,16H,6,8,19H2;1H/t11-,16+;/m0./s1/i8D2,16D;
InChI Key	YKXHIERZIRLOLD-SVCVVZQUSA-N
Melting Point	256-277°C
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Off-white to Pale Beige Solid
Storage	Store at -20°C under inert atmosphere