Molecular Identity
Amlodipine
3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID: 2162
Amlodipine is a fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospastic angina. It has a role as a vasodilator agent, an antihypertensive agent and a calcium channel blocker. It is an ethyl ester, a methyl ester, a dihydropyridine, a primary amino compound and a member of monochlorobenzenes.
2D Structure
Properties
C20H25ClN2O5
Molecular Formula
408.90
Molecular Weight
g/mol
408.1452
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
99.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
647
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCNIsomeric SMILES
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCNSynonyms(20)
amlodipine88150-42-9AmlodipinoAmlodipinumAmlodipine Free Base3-ethyl 5-methyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylateCHEBI:26683-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylateHGP0904HGP-09043,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester1J444QC288DTXSID7022596CKD-330 COMPONENT AMLODIPINE3,5-Pyridinedicarboxylic acid, 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Amlodipine
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