Sarizotan hydrochlorideProduct ingredient for Sarizotan
- Name
- Sarizotan hydrochloride
- Drug Entry
- Sarizotan
- Accession Number
- DBSALT002015
- Structure
Structure for Sarizotan hydrochloride (DBSALT002015)
- Synonyms
- Sarizotan HCl
- External IDs
- EMD 128130 / EMD128130
- UNII
- 5P71E6YO9H
- CAS Number
- 195068-07-6
- Weight
- Average: 384.88
Monoisotopic: 384.1404692 - Chemical Formula
- C22H22ClFN2O
- InChI Key
- QDLVYMYXOLGZOD-ZMBIFBSDSA-N
- InChI
- InChI=1S/C22H21FN2O.ClH/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21;/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2;1H/t21-;/m1./s1
- IUPAC Name
- {[(2R)-3,4-dihydro-2H-1-benzopyran-2-yl]methyl}({[5-(4-fluorophenyl)pyridin-3-yl]methyl})amine hydrochloride
- SMILES
- Cl.FC1=CC=C(C=C1)C1=CN=CC(CNC[C@H]2CCC3=CC=CC=C3O2)=C1
- External Links
- ChemSpider
- 5293584
- ChEMBL
- CHEMBL2146110
- Predicted Properties
Property Value Source Water Solubility 0.000894 mg/mL ALOGPS logP 3.41 ALOGPS logP 4.29 Chemaxon logS -5.6 ALOGPS pKa (Strongest Basic) 8.86 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 34.15 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 100.63 m3·mol-1 Chemaxon Polarizability 38.19 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