Repinotan hydrochlorideProduct ingredient for Repinotan
- Name
- Repinotan hydrochloride
- Drug Entry
- Repinotan
Repinotan is a high-affinity, selective, full agonist of the 5HT1A-receptor subtype with neuroprotective properties.
- Accession Number
- DBSALT002021
- Structure
Structure for Repinotan hydrochloride (DBSALT002021)
- Synonyms
- Repinotan HCl
- External IDs
- Bay x 3702 / BAYx3702
- UNII
- 1KBQ63168A
- CAS Number
- 144980-77-8
- Weight
- Average: 436.95
Monoisotopic: 436.1223562 - Chemical Formula
- C21H25ClN2O4S
- InChI Key
- IGKYREHZJIHPML-UNTBIKODSA-N
- InChI
- InChI=1S/C21H24N2O4S.ClH/c24-21-18-8-2-4-10-20(18)28(25,26)23(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)27-17;/h1-4,7-10,17,22H,5-6,11-15H2;1H/t17-;/m1./s1
- IUPAC Name
- 2-[4-({[(2R)-3,4-dihydro-2H-1-benzopyran-2-yl]methyl}amino)butyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione hydrochloride
- SMILES
- Cl.O=C1N(CCCCNC[C@H]2CCC3=CC=CC=C3O2)S(=O)(=O)C2=CC=CC=C12
- External Links
- ChemSpider
- 172028
- Predicted Properties
Property Value Source Water Solubility 0.0059 mg/mL ALOGPS logP 2.11 ALOGPS logP 3.07 Chemaxon logS -4.8 ALOGPS pKa (Strongest Basic) 9.63 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 75.71 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 107.66 m3·mol-1 Chemaxon Polarizability 42.59 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 Yes Chemaxon