nifedipine

Ligand id: 2514

Name: nifedipine

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 107.77
Molecular weight 346.12
XLogP 3.31
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1981))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
International Nonproprietary Names
INN number INN
3222 nifedipine
Synonyms
Adalat® | BAY-A-1040 | Procardia®
Comments
One of the dihydropyridine class of drugs.
Database Links
BindingDB Ligand 50000778
CAS Registry No. 21829-25-4
ChEBI CHEBI:7565
ChEMBL Ligand CHEMBL193
DrugBank Ligand DB01115
GtoPdb PubChem SID 53801065
NURSA Ligand 10.1621/RVZMIO1ZLJ
PubChem CID 4485
RCSB PDB Ligand C5U
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Wikipedia Nifedipine

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Tocris
Nifedipine
Cat. No. 1075