Efonidipine hydrochlorideProduct ingredient for Efonidipine

Name
Efonidipine hydrochloride
Drug Entry
Efonidipine

Efonidipine is a calcium channel blocker of the dihydropyridine class, commercialized by Shionogi & Co. (Japan). Initially, it was marketed in 1995 under the trade name, Landel. The drug has been shown to block T-type in addition to L-type calcium channels 1,2. It has also been studied in atherosclerosis and acute renal failure 2. This drug is also known as NZ-105, and several studies have been done on its pharmacokinetics in animals 13.

Accession Number
DBSALT001268
Structure
Synonyms
Efonidipine HCl
UNII
3BR983K69O
CAS Number
111011-53-1
Weight
Average: 668.12
Monoisotopic: 667.2214153
Chemical Formula
C34H39ClN3O7P
InChI Key
OXVTXPCIJDYQIS-UHFFFAOYSA-N
InChI
InChI=1S/C34H38N3O7P.ClH/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45;/h5-17,20,31,35H,18-19,21-23H2,1-4H3;1H
IUPAC Name
2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrochloride
SMILES
Cl.CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1
ChemSpider
106462
Predicted Properties
PropertyValueSource
Water Solubility0.000248 mg/mLALOGPS
logP5.35ALOGPS
logP5.44Chemaxon
logS-6.4ALOGPS
pKa (Strongest Acidic)19.49Chemaxon
pKa (Strongest Basic)2.33Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area120.24 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity175.4 m3·mol-1Chemaxon
Polarizability64.89 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon