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93379-54-5 | (S)-Atenolol
CAS No: 93379-54-5 Catalog No: AG003CMV MDL No:MFCD00074918
Product Description
Catalog Number:
AG003CMV
Chemical Name:
(S)-Atenolol
CAS Number:
93379-54-5
Molecular Formula:
C15H24N2O2
Molecular Weight:
264.3633
MDL Number:
MFCD00074918
IUPAC Name:
2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
InChI:
InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m0/s1
InChI Key:
METKIMKYRPQLGS-LBPRGKRZSA-N
SMILES:
O[C@@H](CNC(C)C)CCc1ccc(cc1)CC(=O)N
UNII:
DPF757BOSR
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
266.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
266.341g/mol
Monoisotopic Mass:
266.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| 3-[4-(2-Amino-2-oxoeth-yl)phen-oxy]-2-hy-droxy-N-isopropyl-propanaminium 1,1'-binaphthyl-2,2'-diyl phosphate. | Acta crystallographica. Section E, Structure reports online 20110101 |
| Determination of enantiomers of atenolol and propranolol in pharmaceutical formulations by HPLC. | Journal of AOAC International 20110101 |
| Label-free integrative pharmacology on-target of drugs at the β(2)-adrenergic receptor. | Scientific reports 20110101 |
| A comparative study of nebivolol and (S) atenolol on blood pressure and heart rate on essential hypertensive patients. | Indian journal of pharmacology 20101201 |
| Spectrophotometric method for simultaneous estimation of atenolol in combination with losartan potassium and hydrochlorothiazide in bulk and tablet formulation. | Journal of pharmacy & bioallied sciences 20100101 |
| Influence of plasma protein binding on pharmacodynamics: Estimation of in vivo receptor affinities of beta blockers using a new mechanism-based PK-PD modelling approach. | Journal of pharmaceutical sciences 20091001 |
| Clinical pharmacology. | Indian journal of pharmacology 20081001 |
| Mechanism-based pharmacodynamic modeling of S(-)-atenolol: estimation of in vivo affinity for the beta1-adrenoceptor with an agonist-antagonist interaction model. | The Journal of pharmacology and experimental therapeutics 20080301 |
| Infrared spectroscopy of racemic and enantiomeric forms of atenolol. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070801 |
| Pharmacokinetic-pharmacodynamic modelling of S(-)-atenolol in rats: reduction of isoprenaline-induced tachycardia as a continuous pharmacodynamic endpoint. | British journal of pharmacology 20070601 |
| The future lies in chiral purity: a perspective. | Journal of the Indian Medical Association 20070401 |
| Enantioanalysis of bisoprolol in human plasma with a macrocyclic antibiotic HPLC chiral column using fluorescence detection and solid phase extraction. | Chemical & pharmaceutical bulletin 20070201 |
| Development of safer molecules through chirality. | Indian journal of medical sciences 20061001 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Direct enantiomeric resolution of betaxolol with application to analysis of pharmaceutical products. | Analytical chemistry insights 20060101 |
| Insights into cyclodextrin interactions during sample stacking using capillary isotachophoresis with on-line microcoil NMR detection. | Magnetic resonance in chemistry : MRC 20050901 |
| An efficient asymmetric synthesis of (S)-atenolol: using hydrolytic kinetic resolution. | Bioorganic & medicinal chemistry 20050201 |
| Binding of (-)-[3H]-CGP12177 at two sites in recombinant human beta 1-adrenoceptors and interaction with beta-blockers. | Naunyn-Schmiedeberg's archives of pharmacology 20040501 |
| Enantioselective determination of (R)- and (S)-sotalol in human plasma by on-line coupling of a restricted-access material precolumn to a cellobiohydrolase I-based chiral stationary phase. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20020805 |
| Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells. | The Journal of biological chemistry 20020419 |
| Low-molecular-weight chiral cation exchangers: novel chiral stationary phases and their application for enantioseparation of chiral bases by nonaqueous capillary electrochromatography. | Electrophoresis 20020201 |
| An improved HPLC-fluorescence stereoselective method for analysis of (+)-S- and (-)-R-sotalol enantiomers in plasma sample. | Bollettino chimico farmaceutico 20010101 |
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