Nelfinavir mesylate

Description

Nelfinavir mesylate · CAS 159989-65-8 · C33H49N3O7S2. UNII 98D603VP8V. Solubility: In water, 4,500 mg/L at 25 °C; Dissociation Constants: pKa = -1.2.

Identification

CAS Registry Number	159989-65-8
PubChem CID	64142
Molecular formula	C33H49N3O7S2
IUPAC name	(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide;methanesulfonic acid
UNII (FDA)	98D603VP8V

Computed Descriptors

Molecular Weight	663.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	10
Exact Mass	663.30119326
Monoisotopic Mass	663.30119326
Topological Polar Surface Area	190
Heavy Atom Count	45
Formal Charge	0
Complexity	922

Physical & Chemical Properties

Solubility	In water, 4,500 mg/L at 25 °C
Dissociation Constants	pKa = -1.2

Physical description & handling notes

• White to off-white amorphous powder
• Solubility (mg/g): 70 in glycerin; >100 in propylene glycol; >200 in PEG 400
• Very soluble in methanol, ethanol, and acetonitrile. Practically insoluble in soybean oil, mineral oil.
• Oral: For suspension 50 mg (of nelfinavir) per g, Viracept Oral Powder (with aspartame), Agouron; Tablets, film coated: 250 mg (of nelfinavir), Viracept, Agouron

GHS Hazard Classification

Reported hazard statements	H413 (100%)

Documented Uses

• Preparation: B.A. Dressman et al., WO 9509843; eidem, US 5484926 (1995, 1996 both to Agouron). /Nelfinavir/
• Preparation: B.A. Dressman et al, US 5484926 (1995, 1996 both to Agouron). /Nelfinavir/
• Nelfinavir is indicated in the treatment of HIV infection when antiretroviral therapy is warranted. /Included in US product labeling/
• For more Therapeutic Uses (Complete) data for NELFINAVIR MESYLATE (6 total), please visit the HSDB record page.
• In adults, the most frequent adverse effect associated with nelfinavir therapy is mild to moderate diarrhea.
• Rash has been reported in 13% of adults receiving nelfinavir in the recommended dosage in phase II/III clinical studies. Allergic reaction, dermatitis, folliculitis, fungal dermatitis, maculopapular rash, pruritus, sweating, and urticaria have occurred in less than 2% of adults receiving nelfinavir in clinical studies. Hypersensitivity reactions, including bronchospasm, moderate to severe rash, fever, and edema, possibly related to nelfinavir have been reported during postmarketing surveillance.

Synonyms

Nelfinavir mesylate; 159989-65-8; Nelfinavir mesilate; Nelfinavir Methanesulfonate; AG1343; Nelfinaviri mesilas; 98D603VP8V; CHEBI:7497; NSC722664; DTXCID601477080; Mesylate, Nelfinavir; RefChem:57162; Nelfinavir Monomethane Sulfonate; Monomethane Sulfonate, Nelfinavir; Sulfonate, Nelfinavir Monomethane; 663-870-6

Frequently Asked Questions

What are the CAS number and molecular formula of Nelfinavir mesylate?

CAS 159989-65-8; molecular formula C33H49N3O7S2; molecular weight — g/mol.

What other names is Nelfinavir mesylate known by?

Nelfinavir mesylate, 159989-65-8, Nelfinavir mesilate, Nelfinavir Methanesulfonate, AG1343, Nelfinaviri mesilas.

Is Nelfinavir mesylate classified as hazardous?

Hazard statements reported: H413.

What are the key physical properties of Nelfinavir mesylate?

Solubility: In water, 4,500 mg/L at 25 °C; Dissociation Constants: pKa = -1.2.

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.