chempirical

Nilvadipine

C19H19N3O6CAS 75530-68-6385.38 g/mol

Open in Covalent MOL file
OONNHOON+OO−
AlkeneEsterNitrileNitroSecondary amine

Properties

Molecular formula
C19H19N3O6
Molar mass
385.38 g/mol
Exact mass
385.1274 Da
Melting point
148–150 °C
logP
2.46Crippen estimate
Polar surface area
131.6 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
5

Identifiers

CAS number
75530-68-6
SMILES
COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1
InChIKey
FAIIFDPAEUKBEP-UHFFFAOYSA-N
InChI
InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3

Weigh it out

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

Names and synonyms

12 names
  • 3,5-Pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl 5-(1-methylethyl) ester
  • FR 34235
  • FK 235
  • (±)-Nilvadipine
  • Dl-Nilvadipine
  • Nivadil
  • SKF 102362
  • Escor
  • Nivaldipine
  • CL 287389
  • Nivadip
  • 3-O-Methyl 5-O-propan-2-yl 2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Work with Nilvadipine

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

Nimodipine66085-59-465 % similar 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl ester74936-72-464 % similar Nitrendipine39562-70-463 % similar Azelnidipine123524-52-759 % similar Pranidipine99522-79-958 % similar Barnidipine104713-75-958 % similar Benidipine105979-17-757 % similar Manidipine120092-68-456 % similar

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

Elsewhere

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