Mefruside Lactone
[CAS# 14599-36-1]

Identification

• Name: Mefruside Lactone
• Synonyms: 4-Chloro-N-Methyl-N-[(2-Methyl-5-Oxo-Tetrahydrofuran-2-Yl)Methyl]Benzene-1,3-Disulfonamide; 4-Chloro-N-Methyl-N-[(2-Methyl-5-Oxo-2-Tetrahydrofuranyl)Methyl]Benzene-1,3-Disulfonamide; 4-Chloro-N-[(5-Keto-2-Methyl-Tetrahydrofuran-2-Yl)Methyl]-N-Methyl-Benzene-1,3-Disulfonamide
• Molecular Formula: C₁₃H₁₇ClN₂O₆S₂
• Molecular Weight: 396.86
• CAS Registry Number: 14599-36-1
• SMILES: C1=C(C(=CC=C1[S](=O)(=O)N(CC2(OC(CC2)=O)C)C)Cl)[S](=O)(=O)N
• InChI: 1S/C13H17ClN2O6S2/c1-13(6-5-12(17)22-13)8-16(2)24(20,21)9-3-4-10(14)11(7-9)23(15,18)19/h3-4,7H,5-6,8H2,1-2H3,(H2,15,18,19)
• InChIKey: UBRIMIXGZCAQOY-UHFFFAOYSA-N

Properties

• Density: 1.489g/cm³ (Cal.)
• Boiling point: 637.106°C at 760 mmHg (Cal.)
• Flash point: 339.11°C (Cal.)