Product Code

TRC-R100312

Product Format

Neat

Molecular Formula

C26H26D3FN6O11

Molecular Weight

623.56

API Family

Raltegravir

Product Categories

Pharmaceutical Toxicology Reference Materials , Stable Isotope Labelled Analytical Standards, TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Alternate CAS Number

Isomer: 2575730-15-1

Unlabelled CAS Number

952654-62-5

Price and availability

48-hour USA dispatch time

Freight restricted.

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Documentation

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Product Information

Chemical Data

Analyte Name

Raltegravir-d3 b-D-Glucuronide

Molecular Formula

C26H26D3FN6O11

Molecular Weight

623.56

Accurate Mass

623.21

SMILES

O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OC2=C(C(NCC3=CC=C(F)C=C3)=O)N=C(C(C)(C)NC(C4=NN=C(C)O4)=O)N(C([2H])([2H])[2H])C2=O)O[C@H]1C(O)=O

InChI

InChI=1S/C26H29FN6O11/c1-10-31-32-21(42-10)20(38)30-26(2,3)25-29-13(19(37)28-9-11-5-7-12(27)8-6-11)17(22(39)33(25)4)43-24-16(36)14(34)15(35)18(44-24)23(40)41/h5-8,14-16,18,24,34-36H,9H2,1-4H3,(H,28,37)(H,30,38)(H,40,41)/t14-,15-,16+,18?,24+/m1/s1/i4D3

IUPAC

(2R,3R,4R,5S,6R)-6-((4-((4-fluorobenzyl)carbamoyl)-1-(methyl-d3)-2-(2-(5-methyl-1,3,4-oxadiazole-2-carboxamido)propan-2-yl)-6-oxo-1,6-dihydropyrimidin-5-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Alternate CAS Number

Isomer: 2575730-15-1

Unlabelled CAS Number

952654-62-5

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Raltegravir

Product Description

A labelled metabolite of Raltegravir.

References: Bosma, P., et al.: J. Biol. Chem., 269, 17960 (1994)

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Raltegravir-d3 b-D-Glucuronide (>90%)

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