Asenapine-13C,d3

• CAT Number: R010160
• CAS Number: 1217729-73-1
• Molecular Formula: C₁₆¹³CH₁₃D₃ClNO
• Molecular Weight: 289.78
• Purity: ≥95%
• Synonyms: (3aR,12bR)-rel-5-Chloro-2,3,3a,12b-tetrahydro-2-(methyl-13C,d3)-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole; trans-5-Chloro-2,3,3a,12b-tetrahydro-2-(methyl-13C,d3)?-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole
• Storage: Store at -20C
• IUPAC Name: (2R,6R)-9-chloro-4-(trideuterio(113C)methyl)-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene
• InChI: InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1/i1+1D3
• InChIKey: VSWBSWWIRNCQIJ-LBPJCRQQSA-N
• SMILES: [2H][13C]([2H])([2H])N1C[C@@H]2[C@@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24

Asenapine-13C,d3 is an isotopically labeled version of the antipsychotic drug asenapine, where a carbon atom is replaced with carbon-13, and three hydrogen atoms are substituted with deuterium. This dual-labeled compound is used in pharmaceutical research, particularly for studying the drug’s metabolism, pharmacokinetics, and pharmacodynamics. The incorporation of carbon-13 and deuterium allows for precise tracking and quantification using analytical techniques such as mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy. Asenapine-13C,d3 is invaluable for researchers investigating the efficacy, safety, and metabolic pathways of asenapine, providing enhanced accuracy in data collection for the development and optimization of antipsychotic therapies.