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Bretazenil

Names

[ CAS No. ]:
84379-13-5

[ Name ]:
Bretazenil

[Synonym ]:
tert-Butyl (13aS)-8-bromo-9-oxo-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate
2-Methyl-2-propanyl (13aS)-8-bromo-9-oxo-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate
9H-Imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylic acid, 8-bromo-11,12,13,13a-tetrahydro-9-oxo-, 1,1-dimethylethyl ester, (13aS)-
Ro 16-6028
Ro-16-6028
tert-Butyl (S)-8-Bromo-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate
Bretazenil

Chemical & Physical Properties

[ Density]:
1.6±0.1 g/cm3

[ Boiling Point ]:
594.3±50.0 °C at 760 mmHg

[ Molecular Formula ]:
C19H20BrN3O3

[ Molecular Weight ]:
418.284

[ Flash Point ]:
313.2±30.1 °C

[ Exact Mass ]:
417.068787

[ PSA ]:
64.43000

[ LogP ]:
2.52

[ Appearance of Characters ]:
solid | white

[ Vapour Pressure ]:
0.0±1.7 mmHg at 25°C

[ Index of Refraction ]:
1.685

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
DMSO: 24 mg/mL, soluble

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NJ5899850
CHEMICAL NAME :
9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepine-1- carboxylic acid, 11,12,13,13a- tetrahydro-8-bromo-9-oxo-, 1,1-dimethylethyl ester, (S)-
CAS REGISTRY NUMBER :
84379-13-5
LAST UPDATED :
199806
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H20-Br-N3-O3
MOLECULAR WEIGHT :
418.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>312 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 13,730,1988

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Safety Phrases ]:
22-24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
NJ5899850

Synthetic Route

Precursor & DownStream

Precursor

DownStream

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