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Product Overview

Product Code

TRC-P122502

CAS Number

1346617-34-2

Product Format

Neat

Molecular Formula

C14H8D4F3N3O5

Molecular Weight

363.28

Product Categories

TRC, Antituberculosis, Stable isotopes, Stable Isotope Labelled Analytical Standards, Infectious Disease Research Chemicals and Analytical Standards, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Alternate CAS Number

187235-37-6

Unlabelled CAS Number

187235-37-6

Purity

>95% (HPLC)

Drug Type

Additional Drugs

Documentation

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Product Information

Chemical Data

Analyte Name

(S)-PA 824-d4 (Pretomanid-d4)

CAS Number

1346617-34-2

Molecular Formula

C14H8D4F3N3O5

Molecular Weight

363.28

Accurate Mass

363.098

SMILES

FC(F)(F)OC(C=C1)=CC=C1C([2H])([2H])O[C@H](CO2)C([2H])([2H])N3C2=NC([N+]([O-])=O)=C3

InChI

InChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1/i5D2,7D2

Alternate CAS Number

187235-37-6

Unlabelled CAS Number

187235-37-6

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)

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Product Overview

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Chemical Data

Product Data

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