Tetrabenazine structure, CAS 58-46-8

Tetrabenazine

CAS Number58-46-8

Synonyms2-Oxo-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-benzo[a]quinolizine; 9,10-Dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isochinolin-2-on; tetrabenazine; Ro 1-9569; Rubigen; 3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one; 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one; Nitoman

Molecular FormulaC19H27NO3

Molecular Weight317.42

Purity≥98 (HPLC)%

Density1.1±0.1 g/cm3

Boiling Point448.9±45.0 °C at 760 mmHg

Melting Point128-130ºC

Flash Point

Appearancesolid

EINECS200-383-6

MSDSChineseEnglish

Symbol6.1(b)

Signal WordWarning

Cat. No.: 2A-9016780 Purity: ≥98 (HPLC)%
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Quality Control of [ 58-46-8 ] Purity: ≥98 (HPLC)% SDS Specification MoL

Chemical & Physical Properties
CAS Number58-46-8
Catalog No.2A-9016780
Chinese Name丁苯那嗪
Synonyms2-Oxo-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-benzo[a]quinolizine; 9,10-Dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isochinolin-2-on; tetrabenazine; Ro 1-9569; Rubigen; 3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one; 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one; Nitoman
Molecular FormulaC19H27NO3
Molecular Weight317.42
Purity≥98 (HPLC)
Density1.1±0.1 g/cm3
Boiling Point448.9±45.0 °C at 760 mmHg
Melting Point128-130ºC
Appearancesolid
Storage Condition0-10°C; store in inert gas; avoid air, heat
PackagingIII
ApplicationTetrabenazine is a VMAT inhibitor that can act on hyperkinetic movement disorders.
EINECS200-383-6
HTC2933990090
PubChem ID329826731
MDL NumberMFCD08461052
SMILESCOc1cc2CCN3C[C@@H](CC(C)C)C(=O)CC3c2cc1OC
InChI1S/C19H27NO3/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/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m1/s1
InChI KeyMKJIEFSOBYUXJB-GDBMZVCRSA-N
Beilstein/REAXYS40090
NACRES CodeNA.77
UNSPSC12352200
Hazard Symbols6.1(b)
Risk CodesR22
MSDSmsds/16780_1_58_46_8.pdf
BioactivityTetrabenazine is a VMAT-inhibitor used for treatment of hyperkinetic movement disorder.Target: Otherstetrabenazine (TBZ), a monoamine-depleting and a dopamine-receptor-blocking drug. TBZ is an effective and safe drug for the treatment of a variety of hyperkinetic movement disorders. In contrast to typical neuroleptics, TBZ has not been demonstrated to cause tardive dyskinesia [1, 2]. Twenty patients with tardive dyskinesia (mean duration = 43.7 months) were videotaped before and after tetrabenazine treatment. One patient did not tolerate tetrabenazine owing to sedation. The remaining 19 were rated after a mean of 20.3 weeks at a mean tetrabenazine dose of 57.9 mg/day. There were significant improvements in mean scores on both the patient AIMS self-rating and the AIMS motor subset evaluated by the blind videotape raters. All 19 patients continued to take tetrabenazine after the study [3]. Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> Monoamine Transporter Research Areas >> Neurological Disease References [1]. Jankovic, J. and J. Beach, Long-term effects of tetrabenazine in hyperkinetic movement disorders. Neurology, 1997. 48(2): p. 358-62. [2]. Kenney, C., C. Hunter, and J. Jankovic, Long-term tolerability of tetrabenazine in the treatment of hyperkinetic movement disorders. Mov Disord, 2007. 22(2): p. 193-7. [3]. Ondo, W.G., P.A. Hanna, and J. Jankovic, Tetrabenazine treatment for tardive dyskinesia: assessment by randomized videotape protocol. Am J Psychiatry, 1999. 156(8): p. 1279-81. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 448.9±45.0 °C at 760 mmHg Melting Point 128-130ºC Molecular Formula C19H27NO3 Molecular Weight 317.423 Flash Point 225.3±28.7 °C Exact Mass 317.199097 PSA 38.77000 LogP 3.48 Vapour Pressure 0.0±1.1 mmHg at 25°C Index of Refraction 1.554
Use ofProperties Articles51 Name 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one Synonym More Synonyms Tetrabenazine Biological Activity Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> Monoamine Transporter Research Areas >> Neurological Disease References [1]. Jankovic, J. and J. Beach, Long-term effects of tetrabenazine in hyperkinetic movement disorders. Neurology, 1997. 48(2): p. 358-62. [2]. Kenney, C., C. Hunter, and J. Jankovic, Long-term tolerability of tetrabenazine in the treatment of hyperkinetic movement disorders. Mov Disord, 2007. 22(2): p. 193-7. [3]. Ondo, W.G., P.A. Hanna, and J. Jankovic, Tetrabenazine treatment for tardive dyskinesia: assessment by randomized videotape protocol. Am J Psychiatry, 1999. 156(8): p. 1279-81. Chemical & Physical Properties Molecular Formula C19H27NO3 Exact Mass 317.199097 PSA 38.77000 Index of Refraction 1.554
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified Tetrabenazine Modification Number: 4
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