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Molecule
Amlodipine Besylate
CAS: 111470-99-6 · C26H31ClN2O8S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 111470-99-6
- Molecular Formula
- C26H31ClN2O8S
- Molecular Mass
- 567.06 g/mol
Identifiers
CAS Registry Number
111470-99-6
SMILES
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1
InChI Key
ZPBWCRDSRKPIDG-UHFFFAOYSA-N
InChI
InChI=1S/C20H25ClN2O5.C6H6O3S/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;7-10(8,9)6-4-2-1-3-5-6/h5-8,17,23H,4,9-11,22H2,1-3H3;1-5H,(H,7,8,9)
Names and Synonyms
- Amlodipine Besylate Common Name
- 3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, benzenesulfonate (1:1) Synonym
- 3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, monobenzenesulfonate Synonym
- Benzenesulfonic acid, compd. with 3-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate (1:1) Synonym
- UK 48340-26 Synonym
- Amlodipine besylate Synonym
- Norvasc Synonym
- Amlodipine benzenesulfonate Synonym
- Istin Synonym
- (±)-3-Ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate monobenzenesulfonate Synonym
- Lowrac Synonym
- Amcard Synonym
- Amlodin Synonym
- Amdepin Synonym
- Amdipin Synonym
- Amlosyn Synonym
- Calchek Synonym
- Norvas Synonym
- Norvask Synonym
- Tensivask Synonym
- Amlopin Synonym
- Amlor Synonym
- Monopina Synonym
- Antacal Synonym
- Amlodipine benzenesulfonate salt Synonym
- (±)-Amlodipine besylate Synonym
- Amlodis Synonym
- Amlodin OD Synonym
- Vazkor Synonym
- Normodipine Synonym
- Amlogard Synonym
- Amlopers 5 Synonym
- AM Arya 5 Synonym
- Amilo Synonym
- Alkapress Synonym
- Myodura Synonym
- Cardilopin Synonym
- Amlovas Synonym
- Alopres Synonym
- Regcor Synonym
- Lodipressin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 567.06 g/mol | CAS Common Chemistry |
| 567.0600000000002 g/mol | RDKit | |
| 567.05 g/mol | chempirical lib | |
| Canonical SMILES | O=C(OC)C1=C(NC(=C(C(=O)OCC)C1C=2C=CC=CC2Cl)COCCN)C.O=S(=O)(O)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C20H25ClN2O5.C6H6O3S/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;7-10(8,9)6-4-2-1-3-5-6/h5-8,17,23H,4,9-11,22H2,1-3H3;1-5H,(H,7,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=ZPBWCRDSRKPIDG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 178-179 °C | CAS Common Chemistry |
| Name | Amlodipine besylate | CAS Common Chemistry |
| Heavy Atom Count | 38 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 154.25 Ų | RDKit |
| LogP | 3.199600000000002 | RDKit |
| 3.1996 | RDKit | |
| Molar Refractivity | 141.83369999999985 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3077 | RDKit |
| 0.31 | chempirical lib | |
| Exact Mass | 566.1489646319999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 567.06 g/mol. Edit any field — others recompute live.
