Tetroxoprim
[CAS# 53808-87-0]

Identification

• Name: Tetroxoprim
• Synonyms: [2-Amino-5-[3,5-Dimethoxy-4-(2-Methoxyethoxy)Benzyl]Pyrimidin-4-Yl]Amine; Aids009795; 2,4-Diamino-5-(3,5-Dimethoxy-4-(2-Methoxyethoxy)Benzyl)Pyrimidine
• Molecular Formula: C₁₆H₂₂N₄O₄
• Molecular Weight: 334.37
• CAS Registry Number: 53808-87-0
• EINECS: 258-789-4
• SMILES: C1=C(C(=C(C=C1CC2=C(N=C(N)N=C2)N)OC)OCCOC)OC
• InChI: 1S/C16H22N4O4/c1-21-4-5-24-14-12(22-2)7-10(8-13(14)23-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)
• InChIKey: WSWJIZXMAUYHOE-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 564.1±60.0°C at 760 mmHg (Cal.)
• Flash point: 294.9±32.9°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493