chempirical

Nitrendipine

C18H20N2O6CAS 39562-70-4360.37 g/mol

Open in Covalent MOL file
OONHOON+OO−
AlkeneEsterNitroSecondary amine

Properties

Molecular formula
C18H20N2O6
Molar mass
360.37 g/mol
Exact mass
360.1321 Da
Melting point
158 °C
logP
2.57Crippen estimate
Polar surface area
107.8 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
5

Identifiers

CAS number
39562-70-4
SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1
InChIKey
PVHUJELLJLJGLN-UHFFFAOYSA-N
InChI
InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3

Weigh it out

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

Names and synonyms

14 names · show all
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-ethyl 5-methyl ester
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, ethyl methyl ester
  • BAY-e 5009
  • Bayotensin
  • Baypress
  • (±)-BAY E 5009
  • (±)-Nitrendipine
  • Nitrepin
  • Nitrendipin
  • Bylotensin
  • Deiten
  • Nidrel
  • Cardif
  • Baylotensin

Work with Nitrendipine

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

2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl ester74936-72-475 % similar Pranidipine99522-79-973 % similar Manidipine120092-68-470 % similar Manidipine89226-50-670 % similar Nicardipine55985-32-569 % similar Manidipine dihydrochloride89226-75-567 % similar Nicardipine hydrochloride54527-84-366 % similar Nimodipine66085-59-466 % similar

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

Same formula

Eddha1170-02-1 Syringaldazine14414-32-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook