N-Desbutyl-N-propyl Bumetanide-d5

• CAT Number: R053136
• CAS Number: 1346601-70-4
• Molecular Formula: C16H18N2O5S
• Molecular Weight: 355.42
• Purity: ≥95%
• Synonyms: 3-(Aminosulfonyl)-4-(phenoxy-d5)-5-(propylamino)benzoic Acid; ?4-(Phenoxy-d5)-3-(propylamino)-5-sulfamoylbenzoic Acid; 4-(Phenoxy-d5)-3-propylamino-5-sulfamoylbenzoic Acid
• Storage: -20°C
• IUPAC Name: 4-(2,3,4,5,6-pentadeuteriophenoxy)-3-(propylamino)-5-sulfamoylbenzoic acid
• InChI: InChI=1S/C16H18N2O5S/c1-2-8-18-13-9-11(16(19)20)10-14(24(17,21)22)15(13)23-12-6-4-3-5-7-12/h3-7,9-10,18H,2,8H2,1H3,(H,19,20)(H2,17,21,22)/i3D,4D,5D,6D,7D
• InChIKey: YZACFNSGLDGBNP-DKFMXDSJSA-N
• SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCCC)[2H])[2H]

N-Desbutyl-N-propyl Bumetanide-d5 is a deuterated analog of the N-desbutyl-N-propyl metabolite of bumetanide, where five hydrogen atoms are replaced with deuterium. Bumetanide is a potent loop diuretic used to treat edema associated with heart failure, liver cirrhosis, and kidney disease. The deuterium labeling in N-Desbutyl-N-propyl Bumetanide-d5 allows for precise tracking in pharmacokinetic and metabolic studies using techniques such as mass spectrometry, providing enhanced accuracy in monitoring the compound’s behavior in biological systems.