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Molecule
Felodipine
CAS: 72509-76-3 · C18H19Cl2NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 72509-76-3
- Molecular Formula
- C18H19Cl2NO4
- Molecular Mass
- 384.26 g/mol
Identifiers
CAS Registry Number
72509-76-3
SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl
InChI Key
RZTAMFZIAATZDJ-UHFFFAOYSA-N
InChI
InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3
Names and Synonyms
- Felodipine Synonym
- 3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-ethyl 5-methyl ester Synonym
- 3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, ethyl methyl ester Synonym
- Felodipine Synonym
- Plendil Synonym
- H 154/82 Synonym
- (±)-Felodipine Synonym
- (RS)-Felodipine Synonym
- Prevex Synonym
- Hydac Synonym
- Splendil Synonym
- dl-Felodipine Synonym
- Munobal Synonym
- Flodil Synonym
- Agon Synonym
- Feloday Synonym
- Delmuno Synonym
- 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 384.26 g/mol | CAS Common Chemistry |
| 384.259 g/mol | RDKit | |
| 384.253 g/mol | chempirical lib | |
| Canonical SMILES | O=C(OC)C1=C(NC(=C(C(=O)OCC)C1C=2C=CC=C(Cl)C2Cl)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RZTAMFZIAATZDJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 145 °C | CAS Common Chemistry |
| Name | Felodipine | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 64.63 Ų | RDKit |
| LogP | 3.9643000000000033 | RDKit |
| 3.9643 | RDKit | |
| 4.01 | chempirical lib | |
| Molar Refractivity | 96.38770000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 383.069113448 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 384.26 g/mol. Edit any field — others recompute live.
