Enadoline hydrochlorideProduct ingredient for Enadoline
- Name
- Enadoline hydrochloride
- Drug Entry
- Enadoline
- Accession Number
- DBSALT003239
- Structure
Structure for Enadoline hydrochloride (DBSALT003239)
- Synonyms
- Enadoline HCl
- External IDs
- CI-977
- UNII
- 086I9HO04E
- CAS Number
- 124439-07-2
- Weight
- Average: 432.99
Monoisotopic: 432.2179706 - Chemical Formula
- C24H33ClN2O3
- InChI Key
- ZVVAINSYJGRDTR-TYLGTTGKSA-N
- InChI
- InChI=1S/C24H32N2O3.ClH/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26;/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3;1H/t20-,21-,24-;/m0./s1
- IUPAC Name
- 2-(1-benzofuran-4-yl)-N-methyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl]acetamide hydrochloride
- SMILES
- Cl.CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)CC1=CC=CC2=C1C=CO2
- External Links
- ChemSpider
- 54764
- ChEBI
- 31494
- ChEMBL
- CHEMBL2106706
- Predicted Properties
Property Value Source Water Solubility 0.0291 mg/mL ALOGPS logP 3.43 ALOGPS logP 2.76 Chemaxon logS -4.1 ALOGPS pKa (Strongest Basic) 9.74 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 45.92 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 113.27 m3·mol-1 Chemaxon Polarizability 44.26 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon