CAS 5606-55-3

7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one-3-carboxylic acid ethyl ester

Description:

7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one-3-carboxylic acid ethyl ester, with CAS number 5606-55-3, is a chemical compound belonging to the benzodiazepine class. This compound features a benzodiazepine core structure, characterized by a fused benzene and diazepine ring, which contributes to its pharmacological properties. The presence of a chloro group at the 7-position and a phenyl group at the 5-position enhances its biological activity. The ethyl ester functional group at the 3-carboxylic acid position suggests potential for esterification reactions, which can influence solubility and bioavailability. This compound may exhibit various biological activities, including anxiolytic, sedative, or anticonvulsant effects, typical of benzodiazepines. Its synthesis and characterization involve standard organic chemistry techniques, and it may be of interest in medicinal chemistry for developing new therapeutic agents. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity and regulatory considerations associated with benzodiazepines.

Formula: C₁₈H₁₅ClN₂O₃

InChI: InChI=1/C18H15ClN2O3/c1-2-24-18(23)16-17(22)20-14-9-8-12(19)10-13(14)15(21-16)11-6-4-3-5-7-11/h3-10,16H,2H2,1H3,(H,20,22)

InChI key: InChIKey=DTKOQJNQMOCKQU-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1N=C(C=2C(NC1=O)=CC=C(Cl)C2)C3=CC=CC=C3

Synonyms:

• 1H-1,4-Benzodiazepine-3-carboxylic acid, 7-chloro-2,3-dihydro-2-oxo-5-phenyl-, ethyl ester
• 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one-3-carboxylic acid ethyl ester
• ethyl 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylate
• Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate

Clorazepic Acid Ethyl Ester

Controlled Product

CAS: 5606-55-3

Applications Clorazepic Acid Ethyl Ester is an ethyl ester of Clorazepic Acid (C587365, Dipotassium Salt) which is an anxiolytic.
References Cone, E., et al.: J. Pharm. Sci., 73, 243 (1984), Maurer, H., et al.: J. Anal. Toxicol., 25, 237 (2001), Beyer, J., et al.: Ther. Drug Monit., 27, 151 (2005)

Formula: C₁₈H₁₅ClN₂O₃

Color and Shape: White To Light Yellow

Molecular weight: 342.78

Ref: TR-C587375

Clorazepic Acid Ethyl Ester-d5

Controlled Product

CAS: 5606-55-3

Formula: C₁₈D₅H₁₀ClN₂O₃

Color and Shape: Neat

Molecular weight: 347.807

Ref: TR-C587377

Clorazepate EP Impurity C

CAS: 5606-55-3

Formula: C₁₈H₁₅ClN₂O₃

Molecular weight: 342.78

Ref: ST-EA-CP-C282001