Lemildipine
Basic information
- CAS
94739-29-4- Standard SMILES
COC(=O)C1=C(C)NC(COC(N)=O)=C(C(=O)OC(C)C)C1c1cccc(Cl)c1Cl- InChIKey
WTOVRSWDBLIFHU-UHFFFAOYSA-N- Molecular formula
- C20H22Cl2N2O6
- Average molar mass
- 457.3 g/mol
- Monoisotopic mass
- 456.0854918
Overview
Lemildipine is a methyl ester, an isopropyl ester and a dihydropyridine.
Names & identifiers
- Preferred name
- Lemildipine
- IUPAC
- 5-O-methyl 3-O-propan-2-yl 2-(carbamoyloxymethyl)-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- NPK 1886
- Molecular formula
- C20H22Cl2N2O6
- Molecular weight
- 457.30448
Names & synonyms
Lemildipine94739-29-4NB-818NPK-1886LemildipinoDTXSID8048812NPK1886R3BD0YW4ZFNB818DTXCID10287383,5-Pyridinedicarboxylic acid, 2-(((aminocarbonyl)oxy)methyl)-4-(2,3-dichlorophenyl)-1,4-dihydro-6-methyl-, 5-methyl 3-(1-methylethyl) esterbamilodipine
Show more names
Ccris 73394-(2,3-Dichlorophenyl)-1,4-dihydro-2-[[(carbamoyl)oxy]methyl]-6-methyl-3,5-pyridinedicarboxylic acid 3-isopropyl 5-methyl ester(-)-2-carbamoyloxymethyl-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid 3-isopropyl ester 5-methyl ester3-Isopropyl 5-methyl (+-)-4-(2,3-dichlorophenyl)-1,4-dihydro-2-(hydroxymethyl)-6-methyl-3,5-pyridinedicarboxylate, carbamate (ester)3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2,3-dichlorophenyl)-2-(hydroxymethyl)-6-methyl-,3-isopropyl 5-methyl ester, carbamate (ester)
lemildipinumRefChem:924612NPK 1886Lemildipine [INN]125729-29-55-O-methyl 3-O-propan-2-yl 2-(carbamoyloxymethyl)-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylateNB-818;NPK-1886NCGC00183830-01
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 764
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- color
- White to yellow
- FDA UNII
- 3 BD0YW4ZF · R3BD0YW4ZF
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationA class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Applications
UsesLemildipine is a calcium ion channel blocker that effects the renal blood flow in mammals.
Additional notes
DefinitionChEBI: Lemildipine is a dihydropyridine, an isopropyl ester and a methyl ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…