Back to Search
Amlodipine Besylate
CAS: 111470-99-6 | C26H31ClN2O8S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
111470-99-6
Molecular Formula:
C26H31ClN2O8S
Molecular Mass:
567.06 g/mol
Names and Synonyms:
Amlodipine Besylate
3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, benzenesulfonate (1:1)
3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, monobenzenesulfonate
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)
UK 48340-26
Amlodipine besylate
Norvasc
Amlodipine benzenesulfonate
Istin
(±)-3-Ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate monobenzenesulfonate
Lowrac
Amcard
Amlodin
Amdepin
Amdipin
Amlosyn
Calchek
Norvas
Norvask
Tensivask
Amlopin
Amlor
Monopina
Antacal
Amlodipine benzenesulfonate salt
(±)-Amlodipine besylate
Amlodis
Amlodin OD
Vazkor
Normodipine
Amlogard
Amlopers 5
AM Arya 5
Amilo
Alkapress
Myodura
Cardilopin
Amlovas
Alopres
Regcor
Lodipressin
Identifiers:
SMILES:
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1
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)
Key Properties
Melting Point
178-179 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 567.06 g/mol | CAS Common Chemistry |
| 567.0600000000002 g/mol | RDKit | |
| 566.1489646319999 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 141.83369999999985 | RDKit |
