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69975-86-6

Name Doxofylline
CAS 69975-86-6
EINECS(EC#) 274-239-6
Molecular Formula C11H14N4O4
MDL Number MFCD00865218
Molecular Weight 266.25
MOL File 69975-86-6.mol
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Chemical Properties

Melting point  144-146°C
Boiling point  409.46°C (rough estimate)
density  1.2896 (rough estimate)
refractive index  1.6000 (estimate)
RTECS  XH5135000
storage temp.  Inert atmosphere,2-8°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 0.42±0.70(Predicted)
color  White to Off-White
Water Solubility  Soluble
Merck  14,3438
InChI InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3
InChIKey HWXIGFIVGWUZAO-UHFFFAOYSA-N
SMILES N1(CC2OCCO2)C2=C(N(C)C(=O)N(C)C2=O)N=C1
CAS DataBase Reference 69975-86-6(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
HS Code  29399990
Toxicity
LD50 in mice (mg/kg): 841 orally; 215.6 i.v.; in rats: 1022.4 orally, 445 i.p. (Franzone)

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