chempirical

Cilnidipine

C27H28N2O7CAS 132203-70-4492.53 g/mol

Open in Covalent MOL file
OOONHOON+OO−
AlkeneEsterEtherNitroSecondary amine

Properties

Molecular formula
C27H28N2O7
Molar mass
492.53 g/mol
Exact mass
492.1897 Da
Melting point
115.5–116.6 °C
logP
4.28Crippen estimate
Polar surface area
117.0 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
10
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
132203-70-4
SMILES
COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1
InChIKey
KJEBULYHNRNJTE-DHZHZOJONA-N
InChI
InChI=1/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+

Weigh it out

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

Names and synonyms

12 names
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-methoxyethyl) 5-[(2E)-3-phenyl-2-propen-1-yl] ester
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl 3-phenyl-2-propenyl ester, (E)-(±)-
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl (2E)-3-phenyl-2-propenyl ester
  • (±)-FRC 8653
  • FRC 8653
  • Atelec
  • Cinalong
  • Siscard
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl 3-phenyl-2-propenyl ester, (E)-
  • FRG 8653
  • Cinaldipine
  • Cilacar 10

Work with Cilnidipine

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

Pranidipine99522-79-984 % similar Nimodipine66085-59-472 % similar Nicardipine55985-32-561 % similar Nitrendipine39562-70-460 % similar Manidipine120092-68-460 % similar Manidipine89226-50-660 % similar Nicardipine hydrochloride54527-84-359 % similar 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl ester74936-72-455 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook