Remacemide HydrochlorideProduct ingredient for Remacemide

Name
Remacemide Hydrochloride
Drug Entry
Remacemide
Accession Number
DBSALT002016
Structure
Synonyms
Not Available
UNII
I1ST2B6HIM
CAS Number
111686-79-4
Weight
Average: 304.82
Monoisotopic: 304.134241
Chemical Formula
C17H21ClN2O
InChI Key
HYQMIUSWZXGTCC-UHFFFAOYSA-N
InChI
InChI=1S/C17H20N2O.ClH/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;/h2-11H,12-13,18H2,1H3,(H,19,20);1H
IUPAC Name
2-amino-N-(1,2-diphenylpropan-2-yl)ethanimidic acid hydrochloride
SMILES
Cl.CC(CC1=CC=CC=C1)(N=C(O)CN)C1=CC=CC=C1
ChemSpider
54550
ChEMBL
CHEMBL1448437
Predicted Properties
PropertyValueSource
Water Solubility0.00796 mg/mLALOGPS
logP2.79ALOGPS
logP0.91Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)4.2Chemaxon
pKa (Strongest Basic)9.33Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area58.61 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity81.53 m3·mol-1Chemaxon
Polarizability30.16 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon