Mefloquine-Sulfadoxine-Pyrimethamine
[CAS# 69191-18-0]

Identification

• Name: Mefloquine-Sulfadoxine-Pyrimethamine
• Synonyms: 4-Amino-N-(5,6-Dimethoxypyrimidin-4-Yl)Benzenesulfonamide; (S)-[2,8-Bis(Trifluoromethyl)-4-Quinolyl]-[(2R)-2-Piperidyl]Methanol; 5-(4-Chlorophenyl)-6-Ethyl-Pyrimidine-2,4-Diamine; Hydrochloride; 4-Amino-N-(5,6-Dimethoxy-4-Pyrimidinyl)Benzenesulfonamide; (S)-[2,8-Bis(Trifluoromethyl)-4-Quinolyl]-[(2R)-2-Piperidinyl]Methanol
• Molecular Formula: C₄₁H₄₄Cl₂F₆N₁₀O₅S
• Molecular Weight: 973.82
• CAS Registry Number: 69191-18-0
• SMILES: FC(F)(F)C1=NC3=C(C(=C1)[C@H](O)[C@@H]2NCCCC2)C=CC=C3C(F)(F)F.[H+].C5=C(C4=C(N=C(N=C4N)N)CC)C=CC(=C5)Cl.C7=C([S](=O)(=O)NC6=C(OC)C(=NC=N6)OC)C=CC(=C7)N.[Cl-]
• InChI: 1S/C17H16F6N2O.C12H13ClN4.C12H14N4O4S.ClH/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11;1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9;/h3-5,8,12,15,24,26H,1-2,6-7H2;3-6H,2H2,1H3,(H4,14,15,16,17);3-7H,13H2,1-2H3,(H,14,15,16);1H/t12-,15+;;;/m1.../s1
• InChIKey: HQWQVBJUIIJTRE-LKRNKTNVSA-N

Properties

• Boiling point: 415.7°C at 760 mmHg (Cal.)
• Flash point: 205.2°C (Cal.)