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Product Overview

Product Code

TRC-D193502

CAS Number

1133378-37-6

Product Format

Neat

Molecular Formula

C27 2H9 H28 N3 O7 S

Molecular Weight

556.72

API Family

Darunavir

Product Categories

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

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

206361-99-1

Documentation

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Product Information

Chemical Data

Analyte Name

Darunavir isobutyl-d9

CAS Number

1133378-37-6

Molecular Formula

C27 2H9 H28 N3 O7 S

Molecular Weight

556.72

Accurate Mass

556.2917

SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)S(=O)(=O)c4ccc(N)cc4

InChI

InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1/i1D3,2D3,15D2,18D

IUPAC

[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Unlabelled CAS Number

206361-99-1

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Darunavir

Product Description

Second generation HIV-1-protease inhibitor

References: Koh, Y., et al.: Antimicrob. Agents Chemother., 47, 3123 (2003), Arasteh, K., et al.: AIDS, 19, 943 (2005), Surleraux, D.L.N.G., et al.: J. Med. Chem., 48, 1813 (2005),

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