chempirical

Amlodipine maleate

C24H29ClN2O9CAS 88150-47-4524.95 g/mol

Open in Covalent MOL file
OOONH2NHOOClOHOOOH
AlkeneAryl halideCarboxylic acidEsterEtherPrimary amineSecondary amine

Properties

Molecular formula
C24H29ClN2O9
Molar mass
524.95 g/mol
Exact mass
524.1562 Da
Melting point
174.23 °C
logP
1.98Crippen estimate
Polar surface area
174.5 Ų
H-bond donors / acceptors
4 / 9
Rotatable bonds
10

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
88150-47-4
SMILES
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=C(O)/C=CC(=O)O
InChIKey
TZNOWAJJWCGILX-BTJKTKAUSA-N
InChI
InChI=1S/C20H25ClN2O5.C4H4O4/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;5-3(6)1-2-4(7)8/h5-8,17,23H,4,9-11,22H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

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Names and synonyms

3 names
  • 3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, (2Z)-2-butenedioate (1:1)
  • 3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, (Z)-2-butenedioate (1:1)
  • UK 48340-11

Work with Amlodipine maleate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fumaric acid110-17-8Free acid, defined stereoisomer Maleic acid110-16-7Free acid Poly(maleic acid)26099-09-2Free acid (-)-Amlodipine103129-82-4Free base, defined stereoisomer Amlodipine88150-42-9Free base Iron(II) fumarate141-01-5Salt, defined stereoisomer Enalapril maleate76095-16-4Salt, defined stereoisomer Timolol maleate26921-17-5Salt, defined stereoisomer Chlorpheniramine maleate113-92-8Salt Pyrilamine maleate59-33-6Salt Amlodipine besylate111470-99-6Salt Sodium fumarate5873-57-4Salt, defined stereoisomer

Similar compounds

Phthaloylamlodipine88150-62-368 % similar Felodipine72509-76-356 % similar Felodipine86189-69-756 % similar Clevidipine167221-71-844 % similar Nitrendipine39562-70-442 % similar Lacidipine103890-78-440 % similar Nisoldipine63675-72-937 % similar Nifedipine21829-25-437 % similar

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

Elsewhere

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