Molecular Identity
nisoldipine
3-O-methyl 5-O-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID: 4499
Methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate is a dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a methoxycarbonyl group at position 3, an o-nitrophenyl group at position 4, and an isobutoxycarbonyl group at position 5. The racemate, a calcium channel blocker, is used in the treatment of hypertension and angina pectoris. It is a member of dicarboxylic acids and O-substituted derivatives, a methyl ester, a C-nitro compound, a dihydropyridine and a diester.
2D Structure
Properties
C20H24N2O6
Molecular Formula
388.40
Molecular Weight
g/mol
388.1634
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
110
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
704
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
nisoldipine63675-72-9SularNisocorBaymycardNisoldipinBay k 5552NisoldipinoNisoldipinumBay-k-5552Geomatrix 16eNisoldipine (stn)DTXSID00233714I8HAB65SZNSC-759106
Data from PubChem (NCBI)
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Trials and conditions connected to nisoldipine
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