Otenabant hydrochlorideProduct ingredient for Otenabant
- Name
- Otenabant hydrochloride
- Drug Entry
- Otenabant
Otenabant has been investigated for the treatment of Obesity.
- Accession Number
- DBSALT002063
- Structure
Structure for Otenabant hydrochloride (DBSALT002063)
- Synonyms
- Otenabant HCl
- UNII
- X2166Z319O
- CAS Number
- 686347-12-6
- Weight
- Average: 546.88
Monoisotopic: 545.1264416 - Chemical Formula
- C25H26Cl3N7O
- InChI Key
- KPYUQCJBZGQHPL-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H25Cl2N7O.ClH/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27;/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35);1H
- IUPAC Name
- 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)piperidine-4-carboxamide hydrochloride
- SMILES
- Cl.CCNC1(CCN(CC1)C1=C2N=C(N(C2=NC=N1)C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl)C(N)=O
- External Links
- ChemSpider
- 17351202
- ChEMBL
- CHEMBL2103817
- Wikipedia
- Otenabant
- Predicted Properties
Property Value Source Water Solubility 0.0107 mg/mL ALOGPS logP 3.66 ALOGPS logP 4.42 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 15.89 Chemaxon pKa (Strongest Basic) 8.97 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 101.96 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 158.88 m3·mol-1 Chemaxon Polarizability 53.31 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon