Eleclazine HydrochlorideProduct ingredient for Eleclazine

Show full entry for Eleclazine
Name
Eleclazine Hydrochloride
Drug Entry
Eleclazine

Eleclazine has been used in trials studying the treatment of LQT2 Syndrome, Long QT Syndrome, Ischemic Heart Disease, Ventricular Arrhythmia, and Long QT Syndrome Type 3, among others.

See full entry for Eleclazine
Accession Number
DBSALT002187
Structure
Similar Structures
Synonyms
Not Available
UNII
4R1JP3Q4HI
CAS Number
1448754-43-5
Weight
Average: 451.83
Monoisotopic: 451.0910536
Chemical Formula
C21H17ClF3N3O3
InChI Key
ZRYHNOXHGYUHFF-UHFFFAOYSA-N
InChI
InChI=1S/C21H16F3N3O3.ClH/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19;/h1-9,12H,10-11,13H2;1H
IUPAC Name
4-[(pyrimidin-2-yl)methyl]-7-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one hydrochloride
SMILES
Cl.FC(F)(F)OC1=CC=C(C=C1)C1=CC=C2OCCN(CC3=NC=CC=N3)C(=O)C2=C1
ChemSpider
34984779
Predicted Properties
PropertyValueSource
Water Solubility0.019 mg/mLALOGPS
logP3.29ALOGPS
logP4.35Chemaxon
logS-4.3ALOGPS
pKa (Strongest Basic)0.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area64.55 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity98.42 m3·mol-1Chemaxon
Polarizability39.45 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon