Arzoxifene HydrochlorideProduct ingredient for Arzoxifene
- Name
- Arzoxifene Hydrochloride
- Drug Entry
- Arzoxifene
- Accession Number
- DBSALT002002
- Structure
Structure for Arzoxifene Hydrochloride (DBSALT002002)
- Synonyms
- Not Available
- UNII
- FU88PI0433
- CAS Number
- 182133-27-3
- Weight
- Average: 512.06
Monoisotopic: 511.1584073 - Chemical Formula
- C28H30ClNO4S
- InChI Key
- NHSNLUIMAQQXGR-UHFFFAOYSA-N
- InChI
- InChI=1S/C28H29NO4S.ClH/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-17-29-15-3-2-4-16-29;/h5-14,19,30H,2-4,15-18H2,1H3;1H
- IUPAC Name
- 2-(4-methoxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}-1-benzothiophen-6-ol hydrochloride
- SMILES
- Cl.COC1=CC=C(C=C1)C1=C(OC2=CC=C(OCCN3CCCCC3)C=C2)C2=CC=C(O)C=C2S1
- External Links
- ChemSpider
- 156105
- ChEMBL
- CHEMBL2105949
- Predicted Properties
Property Value Source Water Solubility 0.000496 mg/mL ALOGPS logP 6.3 ALOGPS logP 5.89 Chemaxon logS -6 ALOGPS pKa (Strongest Acidic) 9.47 Chemaxon pKa (Strongest Basic) 8.68 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 51.16 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 135.63 m3·mol-1 Chemaxon Polarizability 52.44 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon