chempirical

Pranidipine

C25H24N2O6CAS 99522-79-9448.48 g/mol

Open in Covalent MOL file
OONHOON+OO−
AlkeneEsterNitroSecondary amine

Properties

Molecular formula
C25H24N2O6
Molar mass
448.48 g/mol
Exact mass
448.1634 Da
Melting point
143.5–144.5 °C
logP
4.26Crippen estimate
Polar surface area
107.8 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
7
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
99522-79-9
SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1
InChIKey
XTFPDGZNWTZCMF-DHZHZOJONA-N
InChI
InChI=1/C25H24N2O6/c1-16-21(24(28)32-3)23(19-12-7-13-20(15-19)27(30)31)22(17(2)26-16)25(29)33-14-8-11-18-9-5-4-6-10-18/h4-13,15,23,26H,14H2,1-3H3/b11-8+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl 5-[(2E)-3-phenyl-2-propen-1-yl] ester
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 3-phenyl-2-propenyl ester, (E)-
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl (2E)-3-phenyl-2-propenyl ester
  • FRC 8411
  • OPC 13340
  • Acalas

Work with Pranidipine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cilnidipine132203-70-484 % similar Nitrendipine39562-70-473 % similar Nicardipine55985-32-568 % similar Manidipine120092-68-467 % similar Manidipine89226-50-667 % similar 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl ester74936-72-466 % similar Nicardipine hydrochloride54527-84-365 % similar Barnidipine104713-75-960 % similar

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

Elsewhere

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