(2S,3S,11Bs)-9,10-dimethoxy-3-[3,3,3-trideuterio-2-(trideuteriomethyl)propyl]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol

Base Information

• Chemical Name: (2S,3S,11Bs)-9,10-dimethoxy-3-[3,3,3-trideuterio-2-(trideuteriomethyl)propyl]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
• CAS No.: 1346604-77-0
• Molecular Formula: C19H29NO3
• Molecular Weight: 325.5
• DSSTox Substance ID: DTXSID00747660
• Wikidata: Q82696647
• Mol file: 1346604-77-0.mol

Synonyms:1346604-77-0;(2S,3S,11Bs)-9,10-dimethoxy-3-[3,3,3-trideuterio-2-(trideuteriomethyl)propyl]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol;DTXSID00747660;WEQLWGNDNRARGE-VJWKIOKKSA-N;(2S,3S,11bS)-9,10-Dimethoxy-3-[2-(~2~H_3_)methyl(3,3,3-~2~H_3_)propyl]-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol

Chemical Property of (2S,3S,11Bs)-9,10-dimethoxy-3-[3,3,3-trideuterio-2-(trideuteriomethyl)propyl]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol

Chemical Property:

• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Dichloromethane (Slightly). Methanol
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 325.25240426
• Heavy Atom Count: 23
• Complexity: 389

Purity/Quality:

98%min ^*data from raw suppliers

cis(2,3)-DihydroTetrabenazine-d6 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1O)OC)OC
• Isomeric SMILES: [2H]C([2H])([2H])C(C[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1O)OC)OC)C([2H])([2H])[2H]
• Uses: cis (2,3)-Dihydro Tetrabenazine-d6 is a labelled metabolite of Tetrabenazine in vivo, which is likely the active pharmacological agent. The cis izomer of Dihydrotetrabenazine is used for the treatment of hyperkinetic movement disorders. A labelled metabolite of Tetrabenazine in vivo. The trans izomer of Dihydrotetrabenazine is used for the treatment of hyperkinetic movement disorders. A labelled metabolite of Tetrabenazine in vivo, which is likely the active pharmacological agent. The cis izomer of Dihydrotetrabenazine is used for the treatment of hyperkinetic movement disorders.