Chlordiazepoxide hydrochlorideProduct ingredient for Chlordiazepoxide
- Name
- Chlordiazepoxide hydrochloride
- Drug Entry
- Chlordiazepoxide
An anxiolytic benzodiazepine derivative with anticonvulsant, sedative, and amnesic properties. It has also been used in the symptomatic treatment of alcohol withdrawal.
- Accession Number
- DBSALT000632
- Structure
Structure for Chlordiazepoxide hydrochloride (DBSALT000632)
- Synonyms
- Chlordiazepoxide HCl
- UNII
- MFM6K1XWDK
- CAS Number
- 438-41-5
- Weight
- Average: 336.22
Monoisotopic: 335.0592175 - Chemical Formula
- C16H15Cl2N3O
- InChI Key
- DMLFJMQTNDSRFU-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H14ClN3O.ClH/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15;/h2-9H,10H2,1H3,(H,18,19);1H
- IUPAC Name
- 7-chloro-2-(methylamino)-5-phenyl-3H-1,4-benzodiazepin-4-ium-4-olate hydrochloride
- SMILES
- Cl.CNC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=[N+]([O-])C1
- External Links
- PubChem Compound
- 9916
- ChemSpider
- 10481929
- ChEBI
- 3612
- ChEMBL
- CHEMBL1200703
- Wikipedia
- Chlordiazepoxide
- Predicted Properties
Property Value Source Water Solubility 0.0199 mg/mL ALOGPS logP 2.01 ALOGPS logP 0.19 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) -2.7 Chemaxon pKa (Strongest Basic) 7.06 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 50.46 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 87.34 m3·mol-1 Chemaxon Polarizability 31.01 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon