Nisoldipine

C20H24N2O6CAS 63675-72-9388.42 g/mol

OONHOON+OO−
AlkeneEsterNitroSecondary amine

Properties

Molecular formula
C20H24N2O6
Molar mass
388.42 g/mol
Exact mass
388.1634 Da
Melting point
151–152 °C
logP
3.20Crippen estimate
Polar surface area
107.8 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
6

Identifiers

CAS number
63675-72-9
SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]
InChIKey
VKQFCGNPDRICFG-UHFFFAOYSA-N
InChI
InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3

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Names and synonyms

14 names · show all
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, 3-methyl 5-(2-methylpropyl) ester
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, methyl 2-methylpropyl ester
  • BAY-k 5552
  • (±)-Nisoldipine
  • (±)-BAY k 5552
  • Nisoldipin
  • Sular
  • Zadipina
  • Syscor
  • Nisocor
  • Baymycard
  • Geomatrix 16E
  • 3-Methyl 5-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  • 3-O-Methyl 5-O-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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