Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00143)
Name
Clorazepate
Synonyms    Click to Show/Hide the Synonyms of This API
clorazepate; Clorazepic acid; Chlorazepate; 23887-31-2; 7-Chloro-2,3-dihydro-2,2-dihydroxy-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid; 7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid; 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylic acid; Dipotassium clorazepate; CHEBI:3761; 23887-31-2 (free acid); Cchlorazepic acid; Clorazepic acid [BAN]; DEA No. 2768; HSDB 3041; 4306 CB; EINECS 245-926-8; Tranxene® 1H-1,4-Benzodiazepine-3-carboxylic acid, 7-chloro-2,3-dihydro-2-oxo-5-phenyl-; ACMC-20dcfi; 149128-44-9; (Chloromethyl)(dimethyl)(tridecyloxy)silane; 4306-CB FREE ACID; GTPL7548; SCHEMBL1649064; CHEMBL1213252; SCHEMBL21244066; DTXSID20863674; ABBOTT-35616 FREE ACID; 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid; DB00628; 1H-1,4-Benzodiazepine-3-carboxylicacid, 7-chloro-2,3-dihydro-2-oxo-5-phenyl-, (-)-; C06921; Q418850
Clinical Status
Approved
Disease Indication Anxiety disorder ICD-11: 6B00 [1]
PubChem CID
2809
Formula
C16H11ClN2O3
Canonical SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O
InChI
1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)
InChIKey
XDDJGVMJFWAHJX-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=2809"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 314.72 Topological Polar Surface Area 78.8
XlogP 3.3 Complexity 488
Heavy Atom Count 22 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Full List of Drug Formulations (DFMs) Containing This API
          Clorazepate 15 mg tablet Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Magnesium stearate; Potassium chloride; Magnesium oxide; Potassium carbonate; Talc; Fd&c red no. 3; Silicon dioxide; Cellulose, microcrystalline
                   Dosage Form Oral Tablet
                   Company Lundbeck Pharmaceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Potassium chloride DIG Info Carbonic anhydrase IV (Ki = 90000 nM) [2]
FD&C red no. 3 DIG Info Phosphodiesterase 3A (IC50 = 0.092 uM) [3]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
          Clorazepate 3.75 mg tablet Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Fd&c blue no. 2; Magnesium stearate; Potassium chloride; Magnesium oxide; Potassium carbonate; Talc; Silicon dioxide; Cellulose, microcrystalline
                   Dosage Form Oral Tablet
                   Company Lundbeck Pharmaceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
FD&C blue no. 2 DIG Info Adenosine receptor A3 (IC50 = 1 uM) [3]
Potassium chloride DIG Info Carbonic anhydrase IV (Ki = 90000 nM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [4]
References
1 FDA label for approved clorazepate from the official website of the U.S. Food and Drug Administration.
2 Characterization and anions inhibition studies of an -carbonic anhydrase from the teleost fish Dicentrarchus labrax. Bioorg Med Chem. 2011 Jan 15; 19(2):744-8.
3 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
4 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.