Benzquinamide hydrochlorideProduct ingredient for Benzquinamide

Show full entry for Benzquinamide
Name
Benzquinamide hydrochloride
Drug Entry
Benzquinamide

Benzquinamide is a discontinued antiemetic compound with antihistaminic, mild anticholinergic, and sedative properties. The mechanism of action is not known, but presumably benzquinamide works via antagonism of muscarinic acetycholine receptors and histamine H1 receptors.

See full entry for Benzquinamide
Accession Number
DBSALT001425
Structure
Similar Structures
Synonyms
Benzquinamide HCl
UNII
3221WFM86J
CAS Number
113-69-9
Weight
Average: 440.97
Monoisotopic: 440.2077999
Chemical Formula
C22H33ClN2O5
InChI Key
KZLNXGBVFTWMPS-UHFFFAOYSA-N
InChI
InChI=1S/C22H32N2O5.ClH/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25;/h10-11,17-19H,6-9,12-13H2,1-5H3;1H
IUPAC Name
3-(diethylcarbamoyl)-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl acetate hydrochloride
SMILES
Cl.CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O
ChemSpider
91786
ChEMBL
CHEMBL1200707
Predicted Properties
PropertyValueSource
Water Solubility0.49 mg/mLALOGPS
logP2.49ALOGPS
logP1.42Chemaxon
logS-2.9ALOGPS
pKa (Strongest Acidic)19.61Chemaxon
pKa (Strongest Basic)7.9Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area68.31 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity110.47 m3·mol-1Chemaxon
Polarizability45.03 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon