chempirical

Nimodipine

C21H26N2O7CAS 66085-59-4418.45 g/mol

Open in Covalent MOL file
OOONHOON+OO−
AlkeneEsterEtherNitroSecondary amine

Properties

Molecular formula
C21H26N2O7
Molar mass
418.45 g/mol
Exact mass
418.1740 Da
Melting point
125 °C
logP
2.97Crippen estimate
Polar surface area
117.0 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
8

Identifiers

CAS number
66085-59-4
SMILES
COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1
InChIKey
UIAGMCDKSXEBJQ-UHFFFAOYSA-N
InChI
InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3

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Names and synonyms

10 names
  • Nimotop
  • (±)-Nimodipine
  • Nimodipine AP
  • Periplum
  • Admon
  • Nemotan
  • 3-O-(2-Methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-methoxyethyl) 5-(1-methylethyl) ester
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl 1-methylethyl ester
  • BAY-e 9736

Work with Nimodipine

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

Cilnidipine132203-70-472 % similar Nitrendipine39562-70-466 % similar Nilvadipine75530-68-665 % similar Azelnidipine123524-52-761 % similar Manidipine120092-68-461 % similar Manidipine89226-50-661 % similar Nicardipine55985-32-560 % similar 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl ester74936-72-459 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook