| Identification | Back Directory | [Name]
3-TROPANYL-3,5-DICHLOROBENZOATE | [CAS]
40796-97-2 | [Synonyms]
MDL-72222
MLD-72222
bemesetron
Benesetron
Bemesetron (MDL 72222)
tropyl3,5-dichlorobenzoate
MNJNPLVXBISNSX-WDNDVIMCSA-N
tropine 3,5-dichlorobenzoate
TROPANYL 3,5-DICHLOROBENZOATE
3-TROPANYL-3,5-DICHLOROBENZOATE
Bemesetron (Synonyms: MDL 72222)
(1β,5β)-Tropane-3α-ol 3,5-dichlorobenzoate
endo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl3,5-dichlorobenzoate
3,5-dichloro-benzoicaci(3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yles
(1R,3r,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3,5-dichlorobenzoate
3,5-dichloro-,8-methyl-8-azabicyclo(3.2.1)oct-3-ylester,endo-benzoicaci
3,5-Dichlorobenzoic acid (1β,5β)-8-methyl-8-azabicyclo[3.2.1]octan-3α-yl ester
Benzoic acid, 3,5-dichloro-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester | [Molecular Formula]
C15H17Cl2NO2 | [MDL Number]
MFCD00865533 | [MOL File]
40796-97-2.mol | [Molecular Weight]
314.21 |
| Chemical Properties | Back Directory | [Melting point ]
165 °C | [Boiling point ]
406.5±45.0 °C(Predicted) | [density ]
1.34±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
0.1 M HCl: slightly soluble
| [form ]
solid
| [pka]
9.89±0.40(Predicted) | [color ]
white
| [Water Solubility ]
Soluble to 100 mM in DMSO. Insoluble in water. Sparingly soluble in chloroform, and ethanol. |
| Hazard Information | Back Directory | [Originator]
Bemesetron,Merrel Dow | [Uses]
Anti-emetic. | [Manufacturing Process]
Tropine (34.24 g) is treated with anhydrous diethyl ether and ethereal
hydrogen chloride and the precipitated hydrochloride is isolated by
evaporation of the solvent. 3,5-Dichlorobenzoylchloride (51.7 g) is added and
the mixture stirred at 140°C for 15 minutes during which time the mixture
liquifies, evolves hydrogen chloride gas and resolidifies. After heating for a
further 15 minutes the cooled solid is dissolved in water, an excess of an
aqueous solution of potassium carbonate is added, and the base is extracted
with ethyl acetate. Evaporation of the dried ethyl acetate solution yields a
solid, which is recrystallized from aqueous methanol to yield 3,5-
dichlorobenzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-1-yl ester (endo). MP:
95°C (51.8 g). | [Therapeutic Function]
Serotonin antagonist | [Biological Activity]
5-HT 3 antagonist. | [storage]
Store at RT |
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