chempirical

Nicardipine hydrochloride

C26H30ClN3O6CAS 54527-84-3515.99 g/mol

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

Properties

Molecular formula
C26H30ClN3O6
Molar mass
515.99 g/mol
Exact mass
515.1823 Da
Melting point
168–170 °C
logP
4.10Crippen estimate
Polar surface area
111.0 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
9

Identifiers

CAS number
54527-84-3
SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1.Cl
InChIKey
AIKVCUNQWYTVTO-UHFFFAOYSA-N
InChI
InChI=1S/C26H29N3O6.ClH/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;1H

Weigh it out

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

Names and synonyms

31 names · show all
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl 5-[2-[methyl(phenylmethyl)amino]ethyl] ester, hydrochloride (1:1)
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino]ethyl ester, monohydrochloride
  • 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-[2-(N-benzyl-N-methylamino)]-ethyl ester 5-methyl ester hydrochloride
  • YC 93
  • Perdipine
  • Cardene
  • Cardene (pharmaceutical)
  • Vasonase
  • Ridene
  • Vasodin
  • Nicardal
  • Nicapress
  • Lescodil
  • RS 69216
  • Rycarden
  • Nerdipina
  • Lecibral
  • Nicant
  • RS 69216XX07-0
  • Bionicard
  • Dacarel
  • Barizin
  • Nicodel
  • Perdipina
  • Ranvil
  • Loxen
  • Nimicor
  • Rydene
  • Nicarpin
  • Cardepine
  • Cardene SR

Work with Nicardipine hydrochloride

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

Nicardipine55985-32-596 % similar Manidipine120092-68-471 % similar Manidipine89226-50-671 % similar Benidipine hydrochloride91599-74-569 % similar Barnidipine104713-75-967 % similar Lercanidipine hydrochloride132866-11-666 % similar Nitrendipine39562-70-466 % similar Pranidipine99522-79-965 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook