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85081-18-1

85081-18-1 Structure

85081-18-1 Structure
IdentificationBack Directory
[Name]

[2R-(2a,3b,11bb)]-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-ol
[CAS]

85081-18-1
[Synonyms]

NBI-98782
(+)-α-DHTBZ
(+)-α-Dihydrotetrabenazine
Tetrabenazine metabolite A
Tetrabenazine metabolite B
Tetrabenazine Related Impurity 27
Tetrabenazine Related Impurity 27 (2R, 3R, 11bR)
(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol
(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-ol
(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
2H-Benzo[a]quinolizin-2-ol, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (2R,3R,11bR)-
[2R-(2a,3b,11bb)]-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-ol
[Molecular Formula]

C19H29NO3
[MDL Number]

MFCD08061467
[MOL File]

85081-18-1.mol
[Molecular Weight]

319.44
Chemical PropertiesBack Directory
[Melting point ]

106-108 °C(Solv: hexane (110-54-3))
[Boiling point ]

457.8±45.0 °C(Predicted)
[density ]

1.13
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 33.33 mg/mL (104.34 mM; Need ultrasonic)
[form ]

Powder
[pka]

14.75±0.40(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Skull and Crossbones (GHS06)
GHS08,GHS06
[Signal word ]

Danger
[Hazard statements ]

H336-H301-H373
[Precautionary statements ]

P261-P271-P304+P340-P312-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P260-P314-P501
Hazard InformationBack Directory
[Uses]

(+)-α-Dihydrotetrabenazine is a potent inhibitor of vascular monoamine transporter 2 (VMAT2) and an agent of significant interest for therapeutic and molecular imaging applications.
[Definition]

ChEBI: (2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol is a member of isoquinolines.
[in vivo]

NBI-98782 (10 mg/kg, p.o., daily for 7 days) decreases basal and APDs-induced monoamine efflux in both mPFC and dSTR in male C57BL/6J mice[1].

Animal Model:Male C57BL/6J mice[1]
Dosage:10 mg/kg
Administration:p.o., daily for 7 days
Result:Decreased the efflux of DA, 5-HT and NE in mPFC, dSTR, HIP and NAC.
Increased the efflux of DOPAC, HVA, and 5-HIAA in mPFC, dSTR, HIP and NAC.
Decreased in cortical DA and DOPAC as well as striatal DA, 5-HT and NE efflux combinated with haloperidol (HY-14538, 0.5 mg/kg, i.p.).
Decreased cortical Glu and striatal ACh, DA and GABA efflux combinated with Clozapine (HY-14539, 10 mg/kg, i.p.).
Reduced PCP-induced increase in LMA between various time points.
Suppressed clozapine-, olanzapine- and risperidone-induced DA efflux in both mPFC and dSTR, and ACh efflux in mPFC.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

[2R-(2a,3b,11bb)]-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-ol(85081-18-1)1HNMR
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