Tianeptine Metabolite MC5-d4 Methyl Ester

• CAT Number: R011826
• CAS Number: 1216799-00-6
• Molecular Formula: C20H23ClN2O4S
• Molecular Weight: 426.948
• Purity: ≥95%
• Synonyms: 7-[(3-Chloro-6,11-dihydro-6-methyl-dibenzo[c,f][1,2]thiazepin-11-yl)amino]pentanoic Acid S,S-Dioxide-d4 Methyl Ester
• Storage: -20°C
• IUPAC Name: methyl 5-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]-3,3,4,4-tetradeuteriopentanoate
• InChI: InChI=1S/C20H23ClN2O4S/c1-23-17-8-4-3-7-15(17)20(22-12-6-5-9-19(24)27-2)16-11-10-14(21)13-18(16)28(23,25)26/h3-4,7-8,10-11,13,20,22H,5-6,9,12H2,1-2H3/i5D2,6D2
• InChIKey: LMFWHCAIQATTKM-NZLXMSDQSA-N
• SMILES: CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCC(=O)OC

Tianeptine Metabolite MC5-d4 Methyl Ester is a deuterated form of a tianeptine metabolite, where four hydrogen atoms are replaced with deuterium in the methyl ester group. Tianeptine is an antidepressant, and this labeled metabolite is used in pharmacokinetic and metabolic studies. The deuterium labeling allows for precise tracking and analysis of the metabolite’s behavior in the body using techniques like mass spectrometry. This helps researchers better understand the drug’s metabolism, distribution, and excretion, contributing to insights into its pharmacological effects and potential therapeutic applications.