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
ChemSpider
32698567
Predicted Properties
PropertyValueSource
Water Solubility0.00591 mg/mLALOGPS
logP4.66ALOGPS
logP4.23Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)13.29Chemaxon
pKa (Strongest Basic)6.61Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area84.32 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity157.53 m3·mol-1Chemaxon
Polarizability57.72 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon