Edonerpic maleateProduct ingredient for Edonerpic
- Name
- Edonerpic maleate
- Drug Entry
- Edonerpic
Edonerpic is a neurotrophic agent intended for the treatment of Alzheimer's disease which is under phase I clinical trial.
- Accession Number
- DBSALT002609
- Structure
- Synonyms
- 1-(3-(2-(Benzo(b)thiophene-5-yl)ethoxy)propyl)azetidine-3-ol maleate / T-817 maleate
- External IDs
- T-817MA
- UNII
- 0LB9F7I5P3
- CAS Number
- 519187-97-4
- Weight
- Average: 407.48
Monoisotopic: 407.140258703 - Chemical Formula
- C20H25NO6S
- InChI Key
- RLUCYBFCLXANSO-BTJKTKAUSA-N
- InChI
- InChI=1S/C16H21NO2S.C4H4O4/c18-15-11-17(12-15)6-1-7-19-8-4-13-2-3-16-14(10-13)5-9-20-16;5-3(6)1-2-4(7)8/h2-3,5,9-10,15,18H,1,4,6-8,11-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
- IUPAC Name
- (2Z)-but-2-enedioic acid; 1-{3-[2-(1-benzothiophen-5-yl)ethoxy]propyl}azetidin-3-ol
- SMILES
- OC(=O)\C=C/C(O)=O.OC1CN(CCCOCCC2=CC=C3SC=CC3=C2)C1
- External Links
- ChemSpider
- 9513693
- Predicted Properties
Property Value Source Water Solubility 0.0404 mg/mL ALOGPS logP 2.82 ALOGPS logP 2.29 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 14.79 Chemaxon pKa (Strongest Basic) 7.24 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 32.7 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 82.6 m3·mol-1 Chemaxon Polarizability 33.52 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 Yes Chemaxon