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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
Lodipressin
Regcor
Alopres
Amlovas
Cardilopin
Myodura
Alkapress
Amilo
AM Arya 5
Amlopers 5
Amlogard
Normodipine
Vazkor
Amlodin OD
Amlodis
(±)-Amlodipine besylate
Amlodipine benzenesulfonate salt
Antacal
Monopina
Amlor
Amlopin
Tensivask
Norvask
Norvas
Calchek
Amlosyn
Amdipin
Amdepin
Amlodin
Amcard
Lowrac
(±)-3-Ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate monobenzenesulfonate
Istin
Amlodipine benzenesulfonate
Norvasc
Amlodipine besylate
UK 48340-26
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)
3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, monobenzenesulfonate
3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, benzenesulfonate (1:1)

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.

External Resources

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

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