Ecopipam HydrochlorideProduct ingredient for Ecopipam
- Name
- Ecopipam Hydrochloride
- Drug Entry
- Ecopipam
Ecopipam has been used in trials studying the treatment of Tourette's Syndrome, Lesch-Nyhan Disease, Pathological Gambling, and Self-injurious Behavior.
- Accession Number
- DBSALT002167
- Structure
Structure for Ecopipam Hydrochloride (DBSALT002167)
- Synonyms
- Not Available
- UNII
- 5X1J3190JI
- CAS Number
- 190133-94-9
- Weight
- Average: 350.28
Monoisotopic: 349.1000197 - Chemical Formula
- C19H21Cl2NO
- InChI Key
- APFMVAHRFWBCDG-JUOYHRLASA-N
- InChI
- InChI=1S/C19H20ClNO.ClH/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21;/h2-5,10-11,17,19,22H,6-9H2,1H3;1H/t17-,19+;/m0./s1
- IUPAC Name
- (1R,11S)-5-chloro-10-methyl-10-azatetracyclo[9.8.0.0^{2,7}.0^{14,19}]nonadeca-2,4,6,14(19),15,17-hexaen-4-ol hydrochloride
- SMILES
- Cl.CN1CCC2=CC(Cl)=C(O)C=C2[C@@H]2[C@@H]1CCC1=C2C=CC=C1
- External Links
- ChemSpider
- 148921
- ChEMBL
- CHEMBL1822916
- Predicted Properties
Property Value Source Water Solubility 0.0236 mg/mL ALOGPS logP 4.28 ALOGPS logP 4.07 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 7.5 Chemaxon pKa (Strongest Basic) 8.52 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 23.47 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 91.6 m3·mol-1 Chemaxon Polarizability 34.44 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon