Dextromethorphan D6 HBr hydrate

• CAT Number: I006466
• CAS Number: 1373497-18-7
• Molecular Formula: C18H28BrNO2
• Molecular Weight: 376.368
• Purity: ≥95%
• Synonyms: Dextromethorphan D6 hydrobromide monohydrate; AVP-786; CTP-786; AVP786; CTP786.;(4bS,8aR,9S)-3-(methoxy-d3)-11-(methyl-d3)-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene hydrobromide hydrate
• Solubility: Soluble in DMSO
• Storage: 0 - 4°C for short term or -20 °C for long term
• IUPAC Name: (1S,9S,10S)-4-(trideuteriomethoxy)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrate;hydrobromide
• InChI: InChI=1S/C18H25NO.BrH.H2O/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18;;/h6-7,12,15,17H,3-5,8-11H2,1-2H3;1H;1H2/t15-,17+,18+;;/m1../s1/i1D3,2D3
• InChIKey: STTADZBLEUMJRG-CDZAPMPLSA-N
• SMILES: [2H]C([2H])([2H])N1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC([2H])([2H])[2H].O.Br

Dextromethorphan-d6 HBr hydrate is a deuterated form of dextromethorphan hydrobromide, featuring six deuterium atoms. This compound is used in pharmaceutical and biochemical research to enhance the precision of analytical studies, such as NMR and mass spectrometry. Dextromethorphan, an antitussive agent used to relieve cough, is studied for its metabolism, pharmacokinetics, and interactions with biological systems. The deuterium labeling allows for detailed tracking of the drug’s metabolic pathways and stability, aiding in the development and optimization of cough suppressant formulations. It is also useful for investigating the drug’s behavior and interactions in various chemical and biological environments.