Roluperidone hydrochlorideProduct ingredient for Roluperidone
- Name
- Roluperidone hydrochloride
- Drug Entry
- Roluperidone
Roluperidone has been used in trials studying the treatment of Schizophrenia.
- Accession Number
- DBSALT002798
- Structure
Structure for Roluperidone hydrochloride (DBSALT002798)
- Synonyms
- Roluperidone HCl / Roluperidone hydrochloride dihydrate
- External IDs
- MIN-101 / MT-210
- UNII
- WFL7TF8DTP
- CAS Number
- 1937215-88-7
- Weight
- Average: 438.92
Monoisotopic: 438.1721633 - Chemical Formula
- C22H28ClFN2O4
- InChI Key
- NZKANSJXJCILHS-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H23FN2O2.ClH.2H2O/c23-19-7-5-17(6-8-19)21(26)15-24-11-9-16(10-12-24)13-25-14-18-3-1-2-4-20(18)22(25)27;;;/h1-8,16H,9-15H2;1H;2*1H2
- IUPAC Name
- 2-({1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-isoindol-1-one dihydrate hydrochloride
- SMILES
- O.O.Cl.FC1=CC=C(C=C1)C(=O)CN1CCC(CN2CC3=CC=CC=C3C2=O)CC1
- External Links
- ChemSpider
- 19886017
- Predicted Properties
Property Value Source Water Solubility 0.0826 mg/mL ALOGPS logP 2.96 ALOGPS logP 2.88 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 14.19 Chemaxon pKa (Strongest Basic) 6.45 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 40.62 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 103.87 m3·mol-1 Chemaxon Polarizability 39.5 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon