Cas no 164104-49-8 ((2S,3S,11bS)-Dihydrotetrabenazine)
164104-49-8 structure
Product Name:(2S,3S,11bS)-Dihydrotetrabenazine
CAS No:164104-49-8
MF:C19H29NO3
MW:319.438465833664
MDL:MFCD11113299
CID:110408
PubChem ID:44249892
Update Time:2025-04-18
(2S,3S,11bS)-Dihydrotetrabenazine Chemical and Physical Properties
Names and Identifiers
-
- (2S,3S,11bS)-3-Isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-ol
- cis-(2,3)-Dihydrotetrabenazine
- 2H-Benzo[a]quinolizin-2-ol,1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (2S,3S,...
- 2H-Benzo[a]quinolizin-2-ol,1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (2S,3S,11bS)-
- TETRABENAZINE METABOLITE C
- (2S,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-ol
- 2H-Benzo[a]quinolizin-2-ol, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (2S,3S,11bS)-
- CHEBI:125503
- (-)-.ALPHA.-HTBN
- (2S,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
- ZB8VJ0T3SK
- CS-0024607
- BDBM50342819
- 2H-Benzo(a)quinolizin-2-ol, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (2S,3S,11bS)-
- 171598-74-6
- 2H-Benzo[a]quinolizin-2-ol, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, [2S-(2,3,11b)]-; (2S,3S,11bS)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-ol
- (-)-.ALPHA.-DIHYDROTETRABENAZINE
- trans (2,3)-Dihydro Tetrabenazine
- (2S,3S,11bS)-3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11bhexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol
- Q27216124
- Rel-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol
- UNII-ZB8VJ0T3SK
- AT21672
- CHEMBL507483
- (-)-alpha-Htbn
- J-019698
- BRD-K20151898-001-01-5
- AKOS022173163
- (2S,3S,11bS)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol
- (-)-alpha-Dihydrotetrabenazine
- (2S,3S,11bS)-Dhtbz
- A907273
- SCHEMBL2755531
- 164104-49-8
- (2S,3S,11bS)-Dihydrotetrabenazine
- (2S,3S,11bS)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-ol
- DA-65964
-
- MDL： MFCD11113299
- Inchi： 1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/t14-,16-,17-/m0/s1
- InChI Key： WEQLWGNDNRARGE-XIRDDKMYSA-N
- SMILES： O[C@H]1C[C@H]2C3C=C(C(=CC=3CCN2C[C@@H]1CC(C)C)OC)OC
Computed Properties
- Exact Mass: 319.21487
- Monoisotopic Mass: 319.215
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 389
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 41.9A^2
- XLogP3: 3.2
Experimental Properties
- Density: 1.1±0.1 g/cm3
- Melting Point: 167-170°C
- Boiling Point: 457.8±45.0 °C at 760 mmHg
- Flash Point: 230.7±28.7 °C
- PSA: 41.93
- Vapor Pressure: 0.0±1.2 mmHg at 25°C
(2S,3S,11bS)-Dihydrotetrabenazine Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
(2S,3S,11bS)-Dihydrotetrabenazine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029183605-1g |
(2S,3S,11bS)-3-Isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-ol |
164104-49-8 | 96% | 1g |
$1,104.94 | 2022-04-02 | |
| Chemenu | CM144521-1g |
(2S,3S,11bS)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol |
164104-49-8 | 96% | 1g |
$1274 | 2021-08-05 | |
| TRC | D454905-10mg |
(2S,3S,11bS)-Dihydrotetrabenazine |
164104-49-8 | 10mg |
$184.00 | 2023-05-18 | ||
| TRC | D454905-25mg |
(2S,3S,11bS)-Dihydrotetrabenazine |
164104-49-8 | 25mg |
$391.00 | 2023-05-18 | ||
| TRC | D454905-50mg |
(2S,3S,11bS)-Dihydrotetrabenazine |
164104-49-8 | 50mg |
$758.00 | 2023-05-18 | ||
| TRC | D454905-100mg |
(2S,3S,11bS)-Dihydrotetrabenazine |
164104-49-8 | 100mg |
$ 1800.00 | 2023-09-07 | ||
| Chemenu | CM144521-1g |
(2S,3S,11bS)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol |
164104-49-8 | 96% | 1g |
$*** | 2023-03-30 | |
| eNovation Chemicals LLC | D573027-5g |
(2S,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-ol |
164104-49-8 | 97% | 5g |
$1940 | 2025-02-19 | |
| eNovation Chemicals LLC | D573027-10g |
(2S,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-ol |
164104-49-8 | 97% | 10g |
$3240 | 2025-02-19 | |
| eNovation Chemicals LLC | D573027-1g |
(2S,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-ol |
164104-49-8 | 97% | 1g |
$645 | 2025-02-19 |
(2S,3S,11bS)-Dihydrotetrabenazine Related Literature
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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