Acefurtiamine
[CAS# 10072-48-7]

Identification

• Name: Acefurtiamine
• Synonyms: [2-[(E)-4-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]-3-(Furan-2-Carbonylsulfanyl)Pent-3-Enoxy]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(E)-4-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl-Formylamino]-3-[(2-Furyl-Oxomethyl)Thio]Pent-3-Enoxy]-2-Oxoethyl] Ester; Acetic Acid [2-[(E)-4-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]-3-(Furan-2-Carbonylthio)Pent-3-Enoxy]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₁H₂₄N₄O₇S
• Molecular Weight: 476.50
• CAS Registry Number: 10072-48-7
• SMILES: C2=C(CN(C(=C(SC(=O)C1=CC=CO1)\CCOC(=O)COC(=O)C)/C)C=O)C(=NC(=N2)C)N
• InChI: 1S/C21H24N4O7S/c1-13(25(12-26)10-16-9-23-14(2)24-20(16)22)18(33-21(29)17-5-4-7-30-17)6-8-31-19(28)11-32-15(3)27/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H2,22,23,24)/b18-13+
• InChIKey: MYBUGVXNAHWTOL-QGOAFFKASA-N

Properties

• Density: 1.349g/cm³ (Cal.)
• Boiling point: 680.654°C at 760 mmHg (Cal.)
• Flash point: 365.446°C (Cal.)