Pentoxifylline , >98.0% , 6493-05-6

Synonym(s):
3,7-Dimethyl-1-(5-oxohexyl)xanthine;Trental

CAS NO.：6493-05-6

Empirical Formula: C13H18N4O3

Molecular Weight: 278.31

MDL number: MFCD00063379

EINECS: 229-374-5

PRODUCT Properties

• Melting point: 98-100°C
• Boiling point: 421.13°C (rough estimate)
• Density: 1.1713 (rough estimate)
• refractive index: 1.6000 (estimate)
• storage temp.: Sealed in dry,Room Temperature
• solubility: H₂O: ≥43 mg/mL
• pka: 0.50±0.70(Predicted)
• form: solid
• color: white
• Water Solubility: H2O: ≥43mg/mL, colorless to almost colorless
• λmax: 276nm(lit.)
• Merck: 14,7136
• Major Application: pharmaceutical (small molecule)
• InChI: 1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8,10-11H,4-7H2,1-3H3
• InChIKey: MQGNNJQTNFHNHK-UHFFFAOYSA-N
• SMILES: CN1C=NC2C1C(=O)N(CCCCC(C)=O)C(=O)N2C
• CAS DataBase Reference: 6493-05-6(CAS DataBase Reference)
• NIST Chemistry Reference: Pentoxifylline(6493-05-6)
• EPA Substance Registry System: 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)- (6493-05-6)

Description and Uses

Pentoxifylline is a methylxanthine phospho-diesterase inhibitor with favorable antiinflammatory effects and immunoregulatory properties.
A metabolite of Pentifylline. Methylxanthine derivative that improves blood flow by decreasing blood viscosity. Phosphodiesterase inhibitor. Inhibits the synthesis of tumor necrosis factor a (TNF-a).

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302
• Precautionary statements: P501-P270-P264-P301+P312+P330
• Hazard Codes: Xn
• Risk Statements: 22
• Safety Statements: 36
• WGK Germany: 3
• RTECS: XH2475000
• HS Code: 2939590000
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Oral; Lact.
• Toxicity: LD50 orally in mice: 1385 mg/kg (Popendiker)