Product Code

TRC-H936760

CAS Number

774538-89-5

Product Format

Neat

Molecular Formula

C25 H27 Cl N2 O7

Molecular Weight

502.94

Product Categories

TRC, Pharmaceutical Toxicology 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

3-Hydroxy Desloratadine beta-D-Glucuronide

CAS Number

774538-89-5

Molecular Formula

C25 H27 Cl N2 O7

Molecular Weight

502.94

Accurate Mass

502.1507

SMILES

O[C@@H]1[C@@H](O)[C@H](Oc2cnc3C(=C4CCNCC4)c5ccc(Cl)cc5CCc3c2)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C25H27ClN2O7/c26-15-3-4-17-13(9-15)1-2-14-10-16(11-28-19(14)18(17)12-5-7-27-8-6-12)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h3-4,9-11,20-23,25,27,29-31H,1-2,5-8H2,(H,32,33)/t20-,21-,22+,23-,25+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[(8-chloro-11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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3-Hydroxy Desloratadine beta-D-Glucuronide

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