Darunavir

Description

Darunavir · CAS 206361-99-1 · C27H37N3O7S. UNII YO603Y8113. Melting Point: 74-76; Melting Point: 74 °C (decomposes); Solubility: 6.68e-02 g/L.

Identification

CAS Registry Number	206361-99-1
PubChem CID	213039
Molecular formula	C27H37N3O7S
IUPAC name	[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
UNII (FDA)	YO603Y8113

Computed Descriptors

Molecular Weight	547.7
XLogP3	2.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Exact Mass	547.23522170
Monoisotopic Mass	547.23522170
Topological Polar Surface Area	149
Heavy Atom Count	38
Formal Charge	0

Physical & Chemical Properties

Melting Point	74-76
Melting Point	74 °C (decomposes)
Solubility	6.68e-02 g/L
LogP	1.89
LogP	1.8

Physical description & handling notes

• Solid
• White, amorphous solid
• Approximately 0.15 mg/mL at
• 11.43±0.46(Predicted)
• Darunavir is an inhibitor of the human immunodeficiency virus (HIV) protease, which prevents HIV viral replication. When administered with ritonavir in combination antiretroviral therapy, darunavir significantly decreases viral load and increases CD4 cell counts, decreasing the morbidity and mortality of HIV infection.
• Oral: Tablets, film-coated 300 mg (of darunavir) Prezista (Tibotec); 600 mg (of darunavir) Prezista (Tibotec).

GHS Hazard Classification

Reported hazard statements	H315 (100%), H317 (100%), H319 (100%), H335 (100%)

Documented Uses

• Inhibitor of the HIV-1 protease
• THERAPEUTIC CATEGORY: Antiviral
• Use (kg; approx.) in Germany (2009): >750
• Consumption (g per capita; approx.) in Germany (2009): 0.00916
• Darunavir, co-administered with ritonavir, and with other antiretroviral agents, is indicated for the treatment of human immunodeficiency virus (HIV) in children age 3 or above and adults with HIV-1 infection.
• Breast Feeding; Lactation; Milk, Human; Anti-Infective Agents; Antiviral Agents; Anti-HIV Agents; Anti-Retroviral Agents; HIV Protease Inhibitors

Synonyms

Darunavir; 206361-99-1; TMC114; TMC-114; UIC-94017; Darunavirum; TMC 114; (-)-DARUNAVIR; DTXSID0046779; UIC 94017; CHEBI:367163; TMC-41629; YO603Y8113; DTXCID8026779; Ethanolate, Darunavir; RefChem:585195

Frequently Asked Questions

What are the CAS number and molecular formula of Darunavir?

CAS 206361-99-1; molecular formula C27H37N3O7S; molecular weight — g/mol.

What other names is Darunavir known by?

Darunavir, 206361-99-1, TMC114, TMC-114, UIC-94017, Darunavirum.

Is Darunavir classified as hazardous?

Hazard statements reported: H315, H317, H319, H335.

What are the key physical properties of Darunavir?

Melting Point: 74-76; Melting Point: 74 °C (decomposes); Solubility: 6.68e-02 g/L; LogP: 1.89.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.