Solabegron-13C6

• CAT Number: R036702
• CAS Number: NA
• Molecular Formula: C₁₇¹³C₆H₂₃ClN₂O₃
• Molecular Weight: 416.85
• Purity: ≥95%
• Synonyms: 3’-[[2-[[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino]ethyl]amino][1,1’-biphenyl]-3-carboxylic Acid-13C6; (-)-(R)-3’-[[2-[[2-(3-Chlorophenyl)-2-hydroxyethyl]amino]ethyl]amino]biphenyl-3-carboxylic Acid-13C6; GW 427353-13C6
• Storage: Store at -20°C
• IUPAC Name: 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acid
• InChI: InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1
• InChIKey: LLDXOPKUNJTIRF-QFIPXVFZSA-N
• SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC=C2)NCCNC[C@@H](C3=CC(=CC=C3)Cl)O

Solabegron-13C6 is a carbon-13 labeled derivative of solabegron, where six carbon atoms are replaced with the stable isotope carbon-13. This compound is used as an internal standard in mass spectrometry, particularly in pharmacokinetic and metabolic studies. The carbon-13 labeling allows for precise differentiation from the non-labeled solabegron, facilitating accurate quantification and tracking of the drug in biological samples. Solabegron-13C6 is especially valuable in pharmaceutical research for studying the drug’s absorption, distribution, metabolism, and excretion (ADME) properties. Solabegron itself is a β3-adrenoceptor agonist under investigation for treating overactive bladder and other conditions.