nilvadipine   Click here for help

GtoPdb Ligand ID: 10160

Synonyms: Escor® | FR-34235 | FR34235
Compound class: Synthetic organic
Comment: Nilvadipine is a dihydropyridine class L-type calcium channel blocker that is used as an anti-hypertensive drug [1]. The INN indicates that nilvadipine is a mixture of enantiomers. We show the chemical structure without specified stereochemistry to represent the mixture.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 131.56
Molecular weight 385.13
XLogP 3.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COC(=O)C1=C(C#N)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(C)C)C
Isomeric SMILES COC(=O)C1=C(C#N)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(C)C)C
InChI InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3
InChI Key FAIIFDPAEUKBEP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
5459 nilvadipine
Synonyms Click here for help
Escor® | FR-34235 | FR34235
Database Links Click here for help
BindingDB Ligand 50103634
ChEMBL Ligand CHEMBL517427
DrugCentral Ligand 1934
GtoPdb PubChem SID 381118870
PubChem CID 4494
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Tocris
Nilvadipine
Cat. No. 5711