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Product Overview

Product Code

TRC-F598410

CAS Number

133310-09-5

Product Format

Neat

Molecular Formula

C28 H34 F3 N3 O7 S

Molecular Weight

613.65

API Family

Fluphenazine

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials

Product Type

Metabolite

Documentation

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Product Information

Chemical Data

Analyte Name

Fluphenazine beta-D-Glucuronide

CAS Number

133310-09-5

Molecular Formula

C28 H34 F3 N3 O7 S

Molecular Weight

613.65

Accurate Mass

613.207

SMILES

O[C@@H]1[C@@H](O)[C@H](OCCN2CCN(CCCN3c4ccccc4Sc5ccc(cc35)C(F)(F)F)CC2)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C28H34F3N3O7S/c29-28(30,31)17-6-7-21-19(16-17)34(18-4-1-2-5-20(18)42-21)9-3-8-32-10-12-33(13-11-32)14-15-40-27-24(37)22(35)23(36)25(41-27)26(38)39/h1-2,4-7,16,22-25,27,35-37H,3,8-15H2,(H,38,39)/t22-,23-,24+,25-,27+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]oxane-2-carboxylic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Fluphenazine

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Fluphenazine Beta-D-Glucuronide

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