chempirical

Clevidipine

C21H23Cl2NO6CAS 167221-71-8456.32 g/mol

Open in Covalent MOL file
OOOONHOOClCl
AcetalAlkeneAryl halideEsterSecondary amine

Properties

Molecular formula
C21H23Cl2NO6
Molar mass
456.32 g/mol
Exact mass
455.0902 Da
logP
4.25Crippen estimate
Polar surface area
90.9 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
7

Identifiers

CAS number
167221-71-8
SMILES
CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl
InChIKey
KPBZROQVTHLCDU-UHFFFAOYSA-N
InChI
InChI=1S/C21H23Cl2NO6/c1-5-7-15(25)29-10-30-21(27)17-12(3)24-11(2)16(20(26)28-4)18(17)13-8-6-9-14(22)19(13)23/h6,8-9,18,24H,5,7,10H2,1-4H3

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

Names and synonyms

6 names
  • 3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-methyl 5-[(1-oxobutoxy)methyl] ester
  • 3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, methyl (1-oxobutoxy)methyl ester
  • rac-Clevidipine
  • Clevelox
  • H 324/38
  • Cleviprex

Work with Clevidipine

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

Felodipine72509-76-375 % similar Felodipine86189-69-775 % similar (-)-Amlodipine103129-82-449 % similar Amlodipine88150-42-949 % similar Phthaloylamlodipine88150-62-346 % similar Nisoldipine63675-72-946 % similar Amlodipine maleate88150-47-444 % similar Nifedipine21829-25-444 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook