Cidoxepin hydrochlorideProduct ingredient for Cidoxepin
- Name
- Cidoxepin hydrochloride
- Drug Entry
- Cidoxepin
- Accession Number
- DBSALT002345
- Structure
Structure for Cidoxepin hydrochloride (DBSALT002345)
- Synonyms
- Cidoxepin HCl
- External IDs
- P-4599
- UNII
- XI27WMG8QK
- CAS Number
- 25127-31-5
- Weight
- Average: 315.84
Monoisotopic: 315.138992 - Chemical Formula
- C19H22ClNO
- InChI Key
- MHNSPTUQQIYJOT-CULRIWENSA-N
- InChI
- InChI=1S/C19H21NO.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H/b17-11-;
- IUPAC Name
- dimethyl({3-[(2Z)-9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene]propyl})amine hydrochloride
- SMILES
- Cl.CN(C)CC\C=C1\C2=CC=CC=C2COC2=C1C=CC=C2
- External Links
- ChemSpider
- 4444541
- ChEMBL
- CHEMBL1256774
- Predicted Properties
Property Value Source Water Solubility 0.0319 mg/mL ALOGPS logP 4.08 ALOGPS logP 3.84 Chemaxon logS -3.9 ALOGPS pKa (Strongest Basic) 9.76 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 12.47 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 98.24 m3·mol-1 Chemaxon Polarizability 32.74 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon