efonidipine   Click here for help

GtoPdb Ligand ID: 12565

Synonyms: Landel® | NZ-105 (efonidipine HCl)
Approved drug
efonidipine is an approved drug (Japan (1995))
Compound class: Synthetic organic
Comment: This version of efonidipine's chemical structure without stereo bond details is used to represent the racemic mixture that is defined by the INN. Efonidipine is a dihydropyridine class calcium channel blocker that inhibits L-type and T-type calcium channels [2].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 130.05
Molecular weight 631.66
XLogP 4.73
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CC1=C(C(C2=CC=CC(=C2)[N+](=O)[O-])C(=C(C)N1)P3(=O)OCC(C)(C)CO3)C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5
Isomeric SMILES CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5
InChI InChI=1S/C34H38N3O7P/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
InChI Key NSVFSAJIGAJDMR-UHFFFAOYSA-N
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel