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Bretazenil

Bretazenil structure

CAS No:
84379-13-5
Formula:
C19H20BrN3O3
Chemical Name:
Bretazenil
Synonyms:
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)-;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,(S)-;Ro 16-6028;Bretazenil;Ro 16-6028/000
Categories:
Active Pharmaceutical Ingredients > Specialty Drugs

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Bretazenil Basic Attributes

Molecular Weight：

418.289

Exact Mass：

418.28

UNII：

OSZ0E9DGOJ

DSSTox ID：

DTXSID6046266

Characteristics

PSA：

64.4

XLogP3：

2.52

Appearance：

white solid

Density：

1.6±0.1 g/cm3

Boiling Point：

594.3±50.0 °C at 760 mmHg

Flash Point：

313.2±30.1 °C

Refractive Index：

1.685

Water Solubility：

DMSO: 24 mg/mL, soluble

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

RTECS Number：

NJ5899850

Drug Information

MeSH：

Drugs used to prevent SEIZURES or reduce their severity. (See all compounds classified as Anticonvulsants.)

MeSH Entry Terms：

bretazenil

Bretazenil Use and Manufacturing

Anti-anxiety agent.

Computed Properties

Molecular Weight:418.3
XLogP3:3.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:417.06880
Monoisotopic Mass:417.06880
Topological Polar Surface Area:64.4
Heavy Atom Count:26
Complexity:593
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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