Furosemide Acyl-beta-D-Glucuronide
[CAS# 72967-59-0]

Identification

• Name: Furosemide Acyl-beta-D-Glucuronide
• Synonyms: (2S,3S,4S,5R)-6-[4-Chloro-2-(2-Furylmethylamino)-5-Sulfamoyl-Benzoyl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R)-6-[[4-Chloro-2-(2-Furylmethylamino)-5-Sulfamoylphenyl]-Oxomethoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R)-6-[4-Chloro-2-(Furan-2-Ylmethylamino)-5-Sulfamoyl-Phenyl]Carbonyloxy-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₈H₁₉ClN₂O₁₁S
• Molecular Weight: 506.87
• CAS Registry Number: 72967-59-0
• SMILES: [C@@H]3(C(OC(=O)C1=C(C=C(C(=C1)[S](=O)(N)=O)Cl)NCC2=CC=CO2)O[C@@H]([C@H]([C@@H]3O)O)C(=O)O)O
• InChI: 1S/C18H19ClN2O11S/c19-9-5-10(21-6-7-2-1-3-30-7)8(4-11(9)33(20,28)29)17(27)32-18-14(24)12(22)13(23)15(31-18)16(25)26/h1-5,12-15,18,21-24H,6H2,(H,25,26)(H2,20,28,29)/t12-,13-,14+,15-,18?/m0/s1
• InChIKey: RNVHHPUYELVHRE-ZBCYVVTKSA-N

Properties

• Density: 1.79g/cm³ (Cal.)
• Boiling point: 810.343°C at 760 mmHg (Cal.)
• Flash point: 443.879°C (Cal.)