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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 Weight:
567.0600000000002 g/mol
Names and Synonyms:
Amlodipine Besylate
Common Name
Lodipressin
Synonym
Regcor
Synonym
Alopres
Synonym
Amlovas
Synonym
Cardilopin
Synonym
Myodura
Synonym
Alkapress
Synonym
Amilo
Synonym
AM Arya 5
Synonym
Amlopers 5
Synonym
Amlogard
Synonym
Normodipine
Synonym
Vazkor
Synonym
Amlodin OD
Synonym
Amlodis
Synonym
(±)-Amlodipine besylate
Synonym
Amlodipine benzenesulfonate salt
Synonym
Antacal
Synonym
Monopina
Synonym
Amlor
Synonym
Amlopin
Synonym
Tensivask
Synonym
Norvask
Synonym
Norvas
Synonym
Calchek
Synonym
Amlosyn
Synonym
Amdipin
Synonym
Amdepin
Synonym
Amlodin
Synonym
Amcard
Synonym
Lowrac
Synonym
(±)-3-Ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate monobenzenesulfonate
Synonym
Istin
Synonym
Amlodipine benzenesulfonate
Synonym
Norvasc
Synonym
Amlodipine besylate
Synonym
UK 48340-26
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
3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, monobenzenesulfonate
Synonym
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
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)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 567.0600000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 566.1489646319999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 38 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 9 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 9 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 154.25 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 3.199600000000002 | RDKit |
| molecular_mass | 567.06 g/mol | Legacy Database |
| cas-canonical-smile | O=C(OC)C1=C(NC(=C(C(=O)OCC)C1C=2C=CC=CC2Cl)COCCN)C.O=S(=O)(O)C=1C=CC=CC1 None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=ZPBWCRDSRKPIDG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 178-179 °C None | Legacy Database |
| cas-name | Amlodipine besylate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 141.83369999999985 | RDKit |