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
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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
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
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
Search Google for chemical match using the InChIKey VKQFCGNPDRICFG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VKQFCGNPDRICFG
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UniChem Compound Search for chemical match using the InChIKey VKQFCGNPDRICFG-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey VKQFCGNPDRICFG-UHFFFAOYSA-N
Wikipedia Nisoldipine