Product Code

TRC-H942735

CAS Number

78433-83-7

Product Format

Neat

Molecular Formula

C15H17Cl2N3O8

Molecular Weight

438.22

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

3-Hydroxy Guanfacine O-beta-D-Glucuronide

CAS Number

78433-83-7

Molecular Formula

C15H17Cl2N3O8

Molecular Weight

438.22

Accurate Mass

437.04

SMILES

O[C@@H]1[C@@H](C(O)=O)O[C@@H](OC2=C(Cl)C(CC(NC(N)=N)=O)=C(Cl)C=C2)[C@H](O)[C@H]1O

InChI

InChI=1S/C15H17Cl2N3O8/c16-5-1-2-6(8(17)4(5)3-7(21)20-15(18)19)27-14-11(24)9(22)10(23)12(28-14)13(25)26/h1-2,9-12,14,22-24H,3H2,(H,25,26)(H4,18,19,20,21)/t9-,10-,11+,12?,14+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-(2,4-dichloro-3-(2-guanidino-2-oxoethyl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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3-Hydroxy Guanfacine O-beta-D-Glucuronide

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