nisoldipine   Click here for help

GtoPdb Ligand ID: 2524

Synonyms: Sular®
Approved drug
nisoldipine is an approved drug (FDA (1995))
Compound class: Synthetic organic
Comment: Nisoldipine is a dihydropyridine calcium channel blocker.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 107.77
Molecular weight 388.16
XLogP 4.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OCC(C)C)C
Isomeric SMILES COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OCC(C)C)C
InChI InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3
InChI Key VKQFCGNPDRICFG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1995))
IUPAC Name Click here for help
O5-methyl O3-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
International Nonproprietary Names Click here for help
INN number INN
4753 nisoldipine
Synonyms Click here for help
Sular®
Database Links Click here for help
BindingDB Ligand 50011689
CAS Registry No. 63675-72-9 (source: Scifinder)
ChEMBL Ligand CHEMBL1726
DrugBank Ligand DB00401
DrugCentral Ligand 1942
GtoPdb PubChem SID 135650722
PubChem CID 4499
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Wikipedia Nisoldipine