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Pentoxifylline Structure

Pentoxifylline

Chemical 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)

Safety Information

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)

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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