(3S,11bS)-tetrabenazine

Base Information

Chemical Name:(3S,11bS)-tetrabenazine
CAS No.:1026016-84-1
Deprecated CAS:2104-79-2,39630-28-9
Molecular Formula:C19H27NO3
Molecular Weight:317.42258
Hs Code.:
UNII:8A3NP33E5M,Z9O08YRN8O
ChEMBL ID:CHEMBL519344
DSSTox Substance ID:DTXSID0042614
Metabolomics Workbench ID:63098
NCI Thesaurus Code:C81095
Nikkaji Number:J2.792.295C
RXCUI:10390
Wikidata:Q27132978
Mol file:1026016-84-1.mol

Synonyms:Nitoman;Tetrabenazine;Xenazine

Suppliers and Price of (3S,11bS)-tetrabenazine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(-)-Tetrabenazine(>75%ee)
5mg
$ 145.00

Matrix Scientific
(-)-Tetrabenazine 97.0%
1g
$ 1386.00

Crysdot
(3S,11bS)-3-Isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one 95+%
1g
$ 870.00

Crysdot
(3S,11bS)-3-Isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one 95+%
250mg
$ 348.00

ACHEMBLOCK
(-)-Tetrabenazine 97%
100MG
$ 75.00

ACHEMBLOCK
(-)-Tetrabenazine 97%
250MG
$ 195.00

Total 8 raw suppliers

Chemical Property of (3S,11bS)-tetrabenazine

Chemical Property:

PSA：38.77000
LogP:3.17600
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
Solubility.:Dichloromethane (Slightly), Chloroform (Slightly), Methanol (Slightly)
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:317.19909372
Heavy Atom Count:23
Complexity:425

Purity/Quality:

97% ^*data from raw suppliers

(-)-Tetrabenazine(>75%ee) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC
Isomeric SMILES:CC(C)C[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2CC1=O)OC)OC
Recent ClinicalTrials:Neuroleptic and Huntington Disease Comparison of : Olanzapine, la Tetrabenazine and Tiapride
Recent EU Clinical Trials:Etude d’efficacité et d’acceptabilité de la Tétrabénazine dans le syndrome tardif aux neuroleptiques : Etude randomisée multicentrique en groupes parallèles en double aveugle versus placebo ?XELADYS?
Uses (-)-Tetrabenazine is a potent inhibitors of vascular monoamine transporter 2 (VMAT2) and may be applicable towards the treatment of chorea associated with Huntington’s disease.

Technology Process of (3S,11bS)-tetrabenazine

There total 7 articles about (3S,11bS)-tetrabenazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 74.0%

: (2S,3S,11bS)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol

: 1026016-84-1,1381929-92-5
(3S,11bS)-tetrabenazine

Guidance literature:: (2S,3S,11bS)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -60 ℃; for 2h; Inert atmosphere;

With triethylamine; In dichloromethane; at -60 - 20 ℃;
DOI:10.1080/00397910902788125