Verapamil hydrochlorideProduct ingredient for Verapamil

Name
Verapamil hydrochloride
Drug (Active Moiety)
Verapamil

A calcium channel blocker that is a class IV anti-arrhythmia agent.

Accession Number
DBSALT000534
Structure
Thumb
Synonyms
Verapamil HCl
UNII
V3888OEY5R
CAS Number
152-11-4
Weight
Average: 491.063
Monoisotopic: 490.259835453
Chemical Formula
C27H39ClN2O4
InChI Key
DOQPXTMNIUCOSY-UHFFFAOYSA-N
InChI
InChI=1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H
IUPAC Name
2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile hydrochloride
SMILES
Cl.COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1
External Links
PubChem Compound
62969
ChemSpider
56679
ChEMBL
CHEMBL1280
Wikipedia
Verapamil
Predicted Properties
PropertyValueSource
Water Solubility0.00394 mg/mLALOGPS
logP5.23ALOGPS
logP5.04ChemAxon
logS-5.1ALOGPS
pKa (Strongest Basic)9.68ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area63.95 Å2ChemAxon
Rotatable Bond Count13ChemAxon
Refractivity132.65 m3·mol-1ChemAxon
Polarizability52.66 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon