chempirical

Nicardipine

C26H29N3O6CAS 55985-32-5479.53 g/mol

Open in Covalent MOL file
OONHOONN+OO−
AlkeneEsterNitroSecondary amineTertiary amine

Properties

Molecular formula
C26H29N3O6
Molar mass
479.53 g/mol
Exact mass
479.2056 Da
Melting point
136–138 °C
logP
3.68Crippen estimate
Polar surface area
111.0 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
9

Identifiers

CAS number
55985-32-5
SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1
InChIKey
ZBBHBTPTTSWHBA-UHFFFAOYSA-N
InChI
InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3

Weigh it out

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

Names and synonyms

4 names
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl 5-[2-[methyl(phenylmethyl)amino]ethyl] ester
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino]ethyl ester
  • (±)-Nicardipine
  • Perpidine

Work with Nicardipine

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

Nicardipine hydrochloride54527-84-396 % similar Manidipine120092-68-474 % similar Manidipine89226-50-674 % similar Barnidipine104713-75-969 % similar Nitrendipine39562-70-469 % similar Pranidipine99522-79-968 % similar Benidipine105979-17-768 % similar Benidipine hydrochloride91599-74-565 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook