Product Code

TRC-S279990

CAS Number

119733-44-7

Product Format

Neat

Molecular Formula

C24 H25 Cl2 N O8

Molecular Weight

526.36

API Family

Sertraline Hydrochloride

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Product Type

Impurity

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Sertraline Carbamoyl Glucuronide

CAS Number

119733-44-7

Molecular Formula

C24 H25 Cl2 N O8

Molecular Weight

526.36

Accurate Mass

525.0957

SMILES

CN([C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13)C(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O

InChI

InChI=1S/C24H25Cl2NO8/c1-27(24(33)35-23-20(30)18(28)19(29)21(34-23)22(31)32)17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(25)16(26)10-11/h2-6,8,10,12,17-21,23,28-30H,7,9H2,1H3,(H,31,32)/t12-,17-,18-,19-,20+,21-,23-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylcarbamoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Sertraline Hydrochloride

Product Description

The major metabolite of the antidepressant Sertraline.

References: Myers, C.E., et al.: Pharmacol. Rev., 33, 1 (1981), Bosslet, K., et al.: Cancer Res., 58, 1195 (1998), Tremaine et. al.: Drug Metabolism and Disposition 17, 542 (1989)

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