nimodipine   

GtoPdb Ligand ID: 2523

Synonyms: BAY-E-9736 | Nimotop®
nimodipine is an approved drug (FDA (1988))
Compound class: Synthetic organic
Comment: Nimodipine is a dihydropyridine calcium channel blocker.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 117
Molecular weight 418.17
XLogP 4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(C)C)C
Isomeric SMILES COCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(C)C)C
InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3
InChI Key UIAGMCDKSXEBJQ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1988))
IUPAC Name
O5-(2-methoxyethyl) O3-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
International Nonproprietary Names
INN number INN
4528 nimodipine
Synonyms
BAY-E-9736 | Nimotop®
Database Links
BindingDB Ligand 50011690
CAS Registry No. 66085-59-4 (source: Scifinder)
ChEBI CHEBI:7575
ChEMBL Ligand CHEMBL1428
DrugBank Ligand DB00393
DrugCentral Ligand 1937
GtoPdb PubChem SID 53801057
PubChem CID 4497
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Wikipedia Nimodipine

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Tocris
Nimodipine
Cat. No. 0600