chempirical

Phthaloylamlodipine

C28H27ClN2O7CAS 88150-62-3538.98 g/mol

Open in Covalent MOL file
OOONOONHOOCl
AlkeneAmideAryl halideEsterEtherLactamSecondary amine

Properties

Molecular formula
C28H27ClN2O7
Molar mass
538.98 g/mol
Exact mass
538.1507 Da
logP
3.60Crippen estimate
Polar surface area
111.2 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
9

Identifiers

CAS number
88150-62-3
SMILES
CCOC(=O)C1=C(COCCN2C(=O)c3ccccc3C2=O)NC(C)=C(C(=O)OC)C1c1ccccc1Cl
InChIKey
AHHPZGUFLGCZCF-UHFFFAOYSA-N
InChI
InChI=1S/C28H27ClN2O7/c1-4-38-28(35)24-21(15-37-14-13-31-25(32)17-9-5-6-10-18(17)26(31)33)30-16(2)22(27(34)36-3)23(24)19-11-7-8-12-20(19)29/h5-12,23,30H,4,13-15H2,1-3H3

Weigh it out

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

Names and synonyms

5 names
  • 3,5-Pyridinedicarboxylic acid, 4-(2-chlorophenyl)-2-[[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]methyl]-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester
  • 4-(2-Chlorophenyl)-3-(ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-2-[(2-phthalimidoethoxy)methyl]-1,4-dihydropyridine
  • Phthalimidoamlodipine
  • 4-(2-Chloroethyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-((2-phthalimidoethoxy)methyl)-1,4-dihydropyridine
  • 3-Ethyl 5-methyl 4-(2-chlorophenyl)-2-[[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]methyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Work with Phthaloylamlodipine

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

(-)-Amlodipine103129-82-476 % similar Amlodipine88150-42-976 % similar Amlodipine maleate88150-47-468 % similar Amlodipine besylate111470-99-665 % similar Felodipine72509-76-359 % similar Felodipine86189-69-759 % similar Clevidipine167221-71-846 % similar Nitrendipine39562-70-444 % similar

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

Elsewhere

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