Imagabalin HydrochlorideProduct ingredient for Imagabalin

Name
Imagabalin Hydrochloride
Drug Entry
Imagabalin

Imagabalin has been investigated in Generalized Anxiety Disorder.

Accession Number
DBSALT002136
Structure
Synonyms
Not Available
UNII
MJ3F8ZA7Q1
CAS Number
610300-00-0
Weight
Average: 209.71
Monoisotopic: 209.1182566
Chemical Formula
C9H20ClNO2
InChI Key
CFMZXQJDAJXNHS-WLYNEOFISA-N
InChI
InChI=1S/C9H19NO2.ClH/c1-3-4-7(2)5-8(10)6-9(11)12;/h7-8H,3-6,10H2,1-2H3,(H,11,12);1H/t7-,8+;/m1./s1
IUPAC Name
(3S,5R)-3-amino-5-methyloctanoic acid hydrochloride
SMILES
Cl.CCC[C@@H](C)C[C@H](N)CC(O)=O
ChemSpider
9876000
ChEMBL
CHEMBL2105673
Predicted Properties
PropertyValueSource
Water Solubility3.01 mg/mLALOGPS
logP-0.48ALOGPS
logP-0.61Chemaxon
logS-1.8ALOGPS
pKa (Strongest Acidic)4.53Chemaxon
pKa (Strongest Basic)10.54Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area63.32 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity48 m3·mol-1Chemaxon
Polarizability20.09 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon