30806-86-1

Name Trimethoprim Related Compound B (25 mg) (2,4-diaminopyrimidin-5-yl)(3,4,5-trimethoxyphenyl)methanone) (AS)
CAS 30806-86-1
Molecular Formula C14H16N4O4
MDL Number MFCD22666234
Molecular Weight 304.3
MOL File 30806-86-1.mol
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Chemical Properties

Melting point  152-154 °C(Solv: benzene (71-43-2))
Boiling point  616.4±65.0 °C(Predicted)
density  1.319±0.06 g/cm3(Predicted)
solubility  soluble in Methanol
pka 4.71±0.10(Predicted)
Major Application pharmaceutical
InChI 1S/C14H16N4O4/c1-20-9-4-7(5-10(21-2)12(9)22-3)11(19)8-6-17-14(16)18-13(8)15/h4-6H,1-3H3,(H4,15,16,17,18)
InChIKey GAAPPIKAFNZRLA-UHFFFAOYSA-N
SMILES Nc1nc(c(cn1)C(=O)c2cc(c(c(c2)OC)OC)OC)N

Safety Data

WGK Germany  WGK 3
HS Code  2933599550
Storage Class 6.1D - Non-combustible acute toxic Cat.3
toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Repr. 2

Hazard Information

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