Propylthiouracil N-beta-D-Glucuronide
[CAS# 33987-24-5]

Identification

• Name: Propylthiouracil N-beta-D-Glucuronide
• Synonyms: 1-Deoxy-1-(3,4-Dihydro-4-Oxo-6-Propyl-2-Thioxo-1(2H)-Pyrimidinyl)- B-D-Glucopyranuronic Acid; 1-Deoxy-1-(3,4-Dihydro-4-Oxo-6-Propyl-2-Thioxo-1(2H)-Pyrimidinyl)- -D-Glucopyranuronic Acid; Propylthiouracil N-B-D-Glucuronide
• Molecular Formula: C₁₃H₁₈N₂O₇S
• Molecular Weight: 346.36
• CAS Registry Number: 33987-24-5
• SMILES: CCCc1cc(=O)[nH]c(=S)n1[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O
• InChI: 1S/C13H18N2O7S/c1-2-3-5-4-6(16)14-13(23)15(5)11-9(19)7(17)8(18)10(22-11)12(20)21/h4,7-11,17-19H,2-3H2,1H3,(H,20,21)(H,14,16,23)/t7-,8-,9+,10-,11+/m0/s1