rac Mirabegron-d5

• CAT Number: R011677
• CAS Number: 1215807-38-7
• Molecular Formula: C21H24N4O2S
• Molecular Weight: 401.54
• Purity: ≥95%
• Synonyms: 2-Amino-N-[4-[2-[[2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-4-thiazoleacetamide-d5; 2-(2-Aminothiazol-4-yl)-4’-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetic Acid Anilide-d5; YM 178-d5
• Storage: -20°C
• IUPAC Name: 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[2-hydroxy-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]amino]ethyl]phenyl]acetamide
• InChI: InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/i1D,2D,3D,4D,5D
• InChIKey: PBAPPPCECJKMCM-RALIUCGRSA-N
• SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C(CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O)[2H])[2H]

rac Mirabegron-d5 is a deuterated form of racemic mirabegron, a β3-adrenergic agonist used primarily for the treatment of overactive bladder. In this compound, five hydrogen atoms are replaced with deuterium. It functions as an internal standard in mass spectrometry and NMR spectroscopy, improving the accuracy of quantification and structural analysis. In pharmaceutical chemistry, it aids in drug metabolism and pharmacokinetic studies, helping to understand the drug’s behavior and efficacy. In organic chemistry, it is used for reaction mechanism studies and isotope dilution assays. Its deuterium labeling ensures precise analytical results in various scientific investigations.