Gallopamil HydrochlorideProduct ingredient for Gallopamil

Name
Gallopamil Hydrochloride
Drug Entry
Gallopamil

Gallopamil has been used in trials studying the treatment of Asthma.

Accession Number
DBSALT002564
Structure
Synonyms
Gallopamil Hcl
UNII
VT4VR32A0T
CAS Number
16662-46-7
Weight
Average: 521.1
Monoisotopic: 520.2704001
Chemical Formula
C28H41ClN2O5
InChI Key
OKCRIUNHEQSXFD-UHFFFAOYSA-N
InChI
InChI=1S/C28H40N2O5.ClH/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5;/h10-11,16-18,20H,9,12-15H2,1-8H3;1H
IUPAC Name
5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride
SMILES
Cl.COC1=CC=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC
ChemSpider
106673
ChEMBL
CHEMBL1256940
Predicted Properties
PropertyValueSource
Water Solubility0.00548 mg/mLALOGPS
logP4.42ALOGPS
logP4.89Chemaxon
logS-5ALOGPS
pKa (Strongest Basic)9.68Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area73.18 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity139.11 m3·mol-1Chemaxon
Polarizability55.64 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon