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29462-18-8

29462-18-8 Structure

29462-18-8 Structure
IdentificationBack Directory
[Name]

Bentazepam
[CAS]

29462-18-8
[Synonyms]

CI-718
QM-6008
Thiadipon
Tiadipone
Thiadipone
Bentazepam
Knoll brand of bentazepam
1,3,6,7,8,9-Hexahydro-5-phenyl-2H-[1]benzothieno[2,3-e]-1,4-diazepin-2-one
2H-[1]Benzothieno[2,3-e]-1,4-diazepin-2-one, 1,3,6,7,8,9-hexahydro-5-phenyl-
5-Phenyl-6,7,8,9-tetrahydro-1H-benzo[4,5]thieno[2,3-e][1,4]diazepin-2(3H)-one
Bentazepam 5-Phenyl-6,7,8,9-tetrahydro-1H-benzo[4,5]thieno[2,3-e][1,4]diazepin-2(3H)-one
[Molecular Formula]

C17H16N2OS
[MDL Number]

MFCD00868003
[MOL File]

29462-18-8.mol
[Molecular Weight]

296.39
Chemical PropertiesBack Directory
[Melting point ]

249.5°C
[Boiling point ]

197.5°C (rough estimate)
[density ]

1.1654 (rough estimate)
[refractive index ]

1.7400 (estimate)
[solubility ]

DMF:15.0(Max Conc. mg/mL);50.61(Max Conc. mM)
DMSO:15.0(Max Conc. mg/mL);50.61(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:3):0.25(Max Conc. mg/mL);0.84(Max Conc. mM)
[form ]

A crystalline solid
[pka]

13.24±0.40(Predicted)
[Stability:]

Hygroscopic
Hazard InformationBack Directory
[Originator]

Bentazepam,Laboratorios Made S. A.
[Uses]

Sedative-hypnotic.
[Definition]

ChEBI: Bentazepam is an organosulfur heterocyclic compound and an organonitrogen heterocyclic compound.
[Manufacturing Process]

To a solution of 3.4 kg N-phthalimidoacetic acid in 20 L of methylene chloride was added a solution of 2.8 kg of 1,1-carbonyl diimidazol in 20 L of methylene chloride. The mixture was refluxed for 1 hour. After cooling to the obtained solution was added a solution of 4.3 kg of 2-amino-3-benzoyl-4,5- tetramethylene thiophene in 30 L of methylene chloride and the reaction mixture was refluxed for 16 hours. After cooling the mixture was washed with 30 L of water, dried with sodium sulfate and filtered. After removing the solvent was obtained the 2-(N-phthalimidoacetylamino)-3-benzoyl-4,5- tetramethylene thiophene, yield 70%, melting point 230°C.
[Therapeutic Function]

Anticonvulsant, Tranquilizer
[Safety Profile]

Moderately toxic by ingestion andintraperitoneal routes. When heated to decomposition itemits toxic fumes of SOx and NOx.
Safety DataBack Directory
[Toxicity]

LD50 oral in rat: 2gm/kg
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67739-71-3 89141-65-1 50330-59-1 2011-67-8