Atopaxar HydrochlorideProduct ingredient for Atopaxar
- Name
- Atopaxar Hydrochloride
- Drug Entry
- Atopaxar
Atopaxar has been investigated for the treatment of Coronary Artery Disease and Acute Coronary Syndrome.
- Accession Number
- DBSALT002127
- Structure
- Synonyms
- Not Available
- UNII
- 8J718S3ET9
- CAS Number
- 474544-83-7
- Weight
- Average: 564.1
Monoisotopic: 563.2562272 - Chemical Formula
- C29H39ClFN3O5
- InChI Key
- DUUYZYAKJMJYJV-UHFFFAOYSA-N
- InChI
- InChI=1S/C29H38FN3O5.ClH/c1-7-37-23-15-19-16-33(28(31)24(19)25(30)27(23)38-8-2)17-22(34)18-13-20(29(3,4)5)26(35-6)21(14-18)32-9-11-36-12-10-32;/h13-15,31H,7-12,16-17H2,1-6H3;1H
- IUPAC Name
- 1-[3-tert-butyl-4-methoxy-5-(morpholin-4-yl)phenyl]-2-(5,6-diethoxy-7-fluoro-1-imino-2,3-dihydro-1H-isoindol-2-yl)ethan-1-one hydrochloride
- SMILES
- Cl.CCOC1=CC2=C(C(=N)N(CC(=O)C3=CC(=C(OC)C(=C3)N3CCOCC3)C(C)(C)C)C2)C(F)=C1OCC
- External Links
- ChemSpider
- 32698567
- Predicted Properties
Property Value Source Water Solubility 0.00591 mg/mL ALOGPS logP 4.66 ALOGPS logP 4.23 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 13.29 Chemaxon pKa (Strongest Basic) 6.61 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 84.32 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 157.53 m3·mol-1 Chemaxon Polarizability 57.72 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