Avasimibe SodiumProduct ingredient for Avasimibe

Name
Avasimibe Sodium
Drug Entry
Avasimibe
Accession Number
DBSALT002013
Structure
Synonyms
Not Available
UNII
32035QP3VQ
CAS Number
166518-61-2
Weight
Average: 523.71
Monoisotopic: 523.27322429
Chemical Formula
C29H42NNaO4S
InChI Key
LENDCHCWVCXELL-UHFFFAOYSA-M
InChI
InChI=1S/C29H43NO4S.Na/c1-17(2)22-14-25(20(7)8)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6;/h11-15,17-21H,16H2,1-10H3,(H,30,31);/q;+1/p-1
IUPAC Name
sodium {[2,6-bis(propan-2-yl)phenoxy]sulfonyl}({2-[2,4,6-tris(propan-2-yl)phenyl]acetyl})azanide
SMILES
[Na+].CC(C)C1=CC(C(C)C)=C(CC(=O)[N-]S(=O)(=O)OC2=C(C=CC=C2C(C)C)C(C)C)C(=C1)C(C)C
ChemSpider
8383885
Predicted Properties
PropertyValueSource
Water Solubility4.51e-05 mg/mLALOGPS
logP6.06ALOGPS
logP8.67Chemaxon
logS-7.1ALOGPS
pKa (Strongest Acidic)2.9Chemaxon
pKa (Strongest Basic)-6Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area69.67 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity144.01 m3·mol-1Chemaxon
Polarizability57.98 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon