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Levamlodipine besylate

CAT: 0931-T4284-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T4284-01Size:10 mg
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CAS Number
150566-71-5
Target
Calcium Channel
Related Pathways
Metabolism, Membrane transporter/Ion channel
Purity
0.9986
Bioactivity
Levamlodipine besylate ((S) -Amlodipine Besylate (103129-82-4 (free base) ) ), also known as S-amlodipine, is a pharmacologically active enantiomer of amlodipine, an antihypertensive and anti-anginal medication. Levamlodipine besylate belongs to the dihydropyridine group of calcium channel blockers. The names S-amlodipine and levamlodipine may be used interchangeably as both substances are the same, however, with differing nomenclature. As a racemic mixture, amlodipine contains (R) and (S) -amlodipine isomers, but only (S) -amlodipine as the active moiety possesses therapeutic activity.
Smiles
OS(=O)(=O)c1ccccc1.CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1c1ccccc1Cl)C(=O)OC
Molecular Formula
C26H31ClN2O8S
Molecular Weight
567.05
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,5-Pyridinedicarboxylic acid, 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, (4S)-, benzenesulfonate (1:1)
CAS Number150566-71-5
PubChem CID11365087
IUPAC Namebenzenesulfonic acid;3-O-ethyl 5-O-methyl (4S)-2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC26H31ClN2O8S
Molecular Weight567.1
Topological Polar Surface Area163
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count38
Formal Charge0
Complexity830
SMILES
CCOC(=O)C1=C(NC(=C([C@@H]1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O
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)/t17-;/m0./s1
InChIKey
ZPBWCRDSRKPIDG-LMOVPXPDSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Pyridinedicarboxylic acid, 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, (4S)-, benzenesulfonate (1:1)
CAS: 150566-71-5
CID: 11365087
Formula: C26H31ClN2O8S
MW: 567.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight567.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass566.1489648
Monoisotopic Mass566.1489648
Topological Polar Surface Area163 Ų
Heavy Atom Count38
Formal Charge0
Complexity830
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes