clevidipine   Click here for help

GtoPdb Ligand ID: 7468

Synonyms: Cleviprex®
Approved drug
clevidipine is an approved drug (FDA (2008))
Compound class: Synthetic organic
Comment: Clevidipine is a dihydropyridine class L-type calcium channel blocker, whic is highly selective for vascular smooth muscle over myocardial smooth muscle.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 90.93
Molecular weight 455.09
XLogP 5.65
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCC(=O)OCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C
Isomeric SMILES CCCC(=O)OCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C
InChI InChI=1S/C21H23Cl2NO6/c1-5-7-15(25)29-10-30-21(27)17-12(3)24-11(2)16(20(26)28-4)18(17)13-8-6-9-14(22)19(13)23/h6,8-9,18,24H,5,7,10H2,1-4H3
InChI Key KPBZROQVTHLCDU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2008))
IUPAC Name Click here for help
O3-(butanoyloxymethyl) O5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
International Nonproprietary Names Click here for help
INN number INN
7490 clevidipine
Synonyms Click here for help
Cleviprex®
Database Links Click here for help
CAS Registry No. 167221-71-8
ChEMBL Ligand CHEMBL1237132
DrugBank Ligand DB04920
DrugCentral Ligand 674
GtoPdb PubChem SID 187051771
PubChem CID 153994
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Wikipedia Clevidipine