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Product Overview

Product Code

TRC-D534255

CAS Number

1338225-97-0

Product Format

Neat

Molecular Formula

C17 H11 Cl F3 N5 O3

Molecular Weight

425.75

API Family

Doravirine

Product Categories

TRC, Enzyme inhibitors, Enzyme inhibitors, Anti-HIV agents, API Reference Standards & Research Materials

Product Type

API

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Doravirine

CAS Number

1338225-97-0

Molecular Formula

C17 H11 Cl F3 N5 O3

Molecular Weight

425.75

Accurate Mass

425.0503

SMILES

CN1C(=O)NN=C1CN2C=CC(=C(Oc3cc(Cl)cc(c3)C#N)C2=O)C(F)(F)F

InChI

InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)

IUPAC

3-chloro-5-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-3-yl]oxybenzonitrile

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Doravirine

Purity

>95% (HPLC)

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