Axelopran SulfateProduct ingredient for Axelopran
- Name
- Axelopran Sulfate
- Drug Entry
- Axelopran
Axelopran has been used in trials studying the treatment of OIC and Opioid-induced Constipation.
- Accession Number
- DBSALT002121
- Structure
Structure for Axelopran Sulfate (DBSALT002121)
- Synonyms
- Not Available
- UNII
- 8OJM0A31U9
- CAS Number
- 949904-50-1
- Weight
- Average: 555.69
Monoisotopic: 555.261436466 - Chemical Formula
- C26H41N3O8S
- InChI Key
- QNFFAKFVKCGLPK-WTKDUOFSSA-N
- InChI
- InChI=1S/C26H39N3O4.H2O4S/c27-25(32)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)29(22)12-11-28(26(33)24(31)17-30)16-18-5-2-1-3-6-18;1-5(2,3)4/h4,7-8,13,18,21-24,30-31H,1-3,5-6,9-12,14-17H2,(H2,27,32);(H2,1,2,3,4)/t21-,22+,23-,24-;/m0./s1
- IUPAC Name
- 3-[(1R,3R,5S)-8-{2-[(2S)-N-(cyclohexylmethyl)-2,3-dihydroxypropanamido]ethyl}-8-azabicyclo[3.2.1]octan-3-yl]benzamide; sulfuric acid
- SMILES
- OS(O)(=O)=O.NC(=O)C1=CC=CC(=C1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)[C@@H](O)CO
- External Links
- ChemSpider
- 31451576
- ChEMBL
- CHEMBL3137319
- Predicted Properties
Property Value Source Water Solubility 0.0719 mg/mL ALOGPS logP 2.67 ALOGPS logP 1.9 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 12.4 Chemaxon pKa (Strongest Basic) 8.75 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 107.1 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 128.51 m3·mol-1 Chemaxon Polarizability 52.16 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon