(1S,4S)-N-Desmethyl Sertraline Hydrochloride

Analyte Name

(1S,4S)-N-Desmethyl Sertraline Hydrochloride

CAS Number

675126-10-0

Molecular Formula

C16 H15 Cl2 N . Cl H

Molecular Weight

328.66

Accurate Mass

327.0348

SMILES

Cl.N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13

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

IUPAC

(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

Alternate CAS Number

Free base: 87857-41-8

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Sertraline

Purity

>95% (HPLC)