Captodiamine hydrochlorideProduct ingredient for Captodiame
- Name
- Captodiamine hydrochloride
- Drug Entry
- Captodiame
Captodiame, also known as captodiamine, is an antihistamine which is used as a sedative and anxiolytic. It is a derivative of diphenhydramine. Captodiame has been suggested for use in preventing benzodiazepine withdrawal syndrome.
- Accession Number
- DBSALT001090
- Structure
- Synonyms
- Not Available
- UNII
- 9I7N9PR9J2
- CAS Number
- 904-04-1
- Weight
- Average: 396.05
Monoisotopic: 395.15082 - Chemical Formula
- C21H30ClNS2
- InChI Key
- IQCZDPRPOLRNQX-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H29NS2.ClH/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18;/h6-14,21H,4-5,15-17H2,1-3H3;1H
- IUPAC Name
- [2-({[4-(butylsulfanyl)phenyl](phenyl)methyl}sulfanyl)ethyl]dimethylamine hydrochloride
- SMILES
- Cl.CCCCSC1=CC=C(C=C1)C(SCCN(C)C)C1=CC=CC=C1
- External Links
- ChemSpider
- 12901
- ChEMBL
- CHEMBL2106143
- Predicted Properties
Property Value Source Water Solubility 5.96e-05 mg/mL ALOGPS logP 5.66 ALOGPS logP 6.13 Chemaxon logS -6.8 ALOGPS pKa (Strongest Basic) 8.94 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 3.24 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 112.79 m3·mol-1 Chemaxon Polarizability 44.32 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon