Molecular Identity
Nitrendipine
5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID: 4507
Nitrendipine is a dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in the treatment of hypertension. It has a role as a geroprotector, a vasodilator agent, an antihypertensive agent and a calcium channel blocker. It is a member of dicarboxylic acids and O-substituted derivatives, an ethyl ester, a methyl ester, a C-nitro compound, a dihydropyridine and a diester.
2D Structure
Properties
C18H20N2O6
Molecular Formula
360.40
Molecular Weight
g/mol
360.1321
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
110
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
661
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CIsomeric SMILES
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CSynonyms(20)
nitrendipine39562-70-4BayotensinBaypressNidrelDeiten3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateNitrendipinumBay-e-5009NitrendipinoNitrepinBAY e 50091,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid ethyl methyl esterDTXSID00233739B627AW319
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Nitrendipine
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