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Molecule
Amlodipine Maleate
CAS: 88150-47-4 · C24H29ClN2O9
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 88150-47-4
- Molecular Formula
- C24H29ClN2O9
- Molecular Mass
- 524.95 g/mol
Identifiers
CAS Registry Number
88150-47-4
SMILES
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=C(O)/C=CC(=O)O
InChI Key
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-
Names and Synonyms
- Amlodipine Maleate Common Name
- 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) Synonym
- 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) Synonym
- Amlodipine maleate Synonym
- UK 48340-11 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 524.95 g/mol | CAS Common Chemistry |
| 524.9540000000002 g/mol | RDKit | |
| 524.954 g/mol | RDKit | |
| 524.951 g/mol | chempirical lib | |
| Canonical SMILES | O=C(O)C=CC(=O)O.O=C(OC)C1=C(NC(=C(C(=O)OCC)C1C=2C=CC=CC2Cl)COCCN)C | CAS Common Chemistry |
| 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- | CAS Common Chemistry |
| InChI Key | InChIKey=TZNOWAJJWCGILX-BTJKTKAUSA-N | CAS Common Chemistry |
| Melting Point | 174.23 °C | CAS Common Chemistry |
| Name | Amlodipine maleate | CAS Common Chemistry |
| Heavy Atom Count | 36 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 174.48 Ų | RDKit |
| LogP | 1.9781000000000006 | RDKit |
| 1.9781 | RDKit | |
| Molar Refractivity | 129.98870000000008 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 524.1561581879998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
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 = 524.95 g/mol. Edit any field — others recompute live.
