Trimethoprim-sulfadoxine
[CAS# 39295-60-8]

Identification

• Name: Trimethoprim-sulfadoxine
• Synonyms: 4-Amino-N-(5,6-Dimethoxy-4-Pyrimidinyl)Benzenesulfonamide; 5-[(3,4,5-Trimethoxyphenyl)Methyl]Pyrimidine-2,4-Diamine; 4-Amino-N-(5,6-Dimethoxypyrimidin-4-Yl)Benzenesulfonamide; [2-Amino-5-(3,4,5-Trimethoxybenzyl)Pyrimidin-4-Yl]Amine; Benzenesulfonamide, 4-Amino-N-(5,6-Dimethoxy-4-Pyrimidinyl)-, Mixt. With 5-((3,4,5-Trimethoxyphenyl)Methyl)-2,4-Pyrimidinediamine
• Molecular Formula: C₂₆H₃₂N₈O₇S
• Molecular Weight: 600.65
• CAS Registry Number: 39295-60-8
• SMILES: C2=C([S](=O)(=O)NC1=C(OC)C(=NC=N1)OC)C=CC(=C2)N.C3=C(C=C(OC)C(=C3OC)OC)CC4=C(N=C(N=C4)N)N
• InChI: 1S/C14H18N4O3.C12H14N4O4S/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h5-7H,4H2,1-3H3,(H4,15,16,17,18);3-7H,13H2,1-2H3,(H,14,15,16)
• InChIKey: OLGCJTRSPFQVOV-UHFFFAOYSA-N

Properties

• Boiling point: 526°C at 760 mmHg (Cal.)
• Flash point: 271.9°C (Cal.)