Darunavir-d9 | CAS No. 1133378-37-6

Darunavir-d9

Basic Information

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CAS Number

1133378-37-6

Molecular Formula

C27H28D9N3O7S

Molecular Weight

556.72 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

74-760C

SMILES

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O=C(O[C@H]1CO[C@@H]2[C@H]1CCO2)N[C@H]([C@@H](CN(C(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])([2H])[2H])S(=O)(=O)c1ccc(cc1)N)O)Cc1ccccc1

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

InChIKey

CJBJHOAVZSMMDJ-SYUAEXFJSA-N

LogP

2.3753

Topological Polar Surface Area

140.42000000000002 Å²

Hydrogen Bond Donor/Acceptor

4 / 10

Complexity

853

Synonyms & References

English

[2H9]-Darunavir
Darunavir-d9
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-(isobutyl-d9)-phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-((4-amino-N-(2-(methyl-d3)propyl-1,1,2,3,3,3-d6)phenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate

MDL Number

MFCD09840303

FAQ

What are the physical and chemical properties of Darunavir-d9 (CAS: 1133378-37-6)?

Darunavir-d9 (CAS: 1133378-37-6) is a crystalline compound with a molecular weight of approximately 667.72 g/mol. It has a high solubility in organic solvents such as methanol and ethanol. The compound is relatively stable under normal storage conditions but can react with strong acids or bases. It is typically used in pharmaceutical applications for its antiretroviral properties.

How is Darunavir-d9 (CAS: 1133378-37-6) typically synthesized?

Darunavir-d9 (CAS: 1133378-37-6) is synthesized through multi-step reactions involving peptide coupling and ring closure. Commonly, solid-phase synthesis techniques are used, which include the use of Fmoc (fluorenylmethoxycarbonyl) protecting groups. The process involves selectivity for specific functional groups and yields around 70-80%.

What industries use Darunavir-d9 (CAS: 1133378-37-6)?

Darunavir-d9 (CAS: 1133378-37-6) is primarily used in the pharmaceutical industry, particularly in the development of antiretroviral drugs. It is also of interest to researchers in polymer science and sensor technology due to its unique chemical properties.

What precautions should be taken when handling Darunavir-d9 (CAS: 1133378-37-6)?

When handling Darunavir-d9 (CAS: 1133378-37-6), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be flushed with water. Refer to the Material Safety Data Sheet (MSDS) for detailed safety information.