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Product Overview

Product Code

TRC-A790053

CAS Number

1092540-51-6

Product Format

Neat

Molecular Formula

C38 2H15 H37 N6 O7

Molecular Weight

719.95

API Family

Atazanavir

Product Categories

TRC, Chiral Molecules , Enzyme inhibitors, API Reference Standards & Research Materials, Anti-HIV agents, Antivirals and antiretrovirals, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, Bioactive Small Molecule, API

Unlabelled CAS Number

198904-31-3

Documentation

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Product Information

Chemical Data

Analyte Name

Atazanavir-d9

CAS Number

1092540-51-6

Molecular Formula

C38 2H15 H37 N6 O7

Molecular Weight

719.95

Accurate Mass

719.4839

SMILES

[2H]C([2H])([2H])OC(=O)N[C@H](C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC([2H])([2H])[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])Cc2ccc(cc2)c3cccnc3)C(C)(C)C

InChI

InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(21-25-13-10-9-11-14-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-16-18-27(19-17-26)28-15-12-20-39-22-28/h9-20,22,29-32,45H,21,23-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1/i1D3,2D3,3D3,7D3,8D3

IUPAC

trideuteriomethyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-4-phenyl-3-[[(2S)-4,4,4-trideuterio-2-(trideuteriomethoxycarbonylamino)-3,3-bis(trideuteriomethyl)butanoyl]amino]butyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Unlabelled CAS Number

198904-31-3

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Atazanavir

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Product Overview

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Chemical Data

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