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129689-30-1 | Acetamide, 2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]-N-(2-methoxyethyl)-
CAS No: 129689-30-1 Catalog No: AG000TLX MDL No:
Product Description
Catalog Number:
AG000TLX
Chemical Name:
Acetamide, 2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]-N-(2-methoxyethyl)-
CAS Number:
129689-30-1
Molecular Formula:
C22H30N2O6
Molecular Weight:
418.4834
IUPAC Name:
2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]-N-(2-methoxyethyl)acetamide
InChI:
InChI=1S/C22H30N2O6/c1-27-13-12-24-22(26)17-30-21-9-7-20(8-10-21)28-14-11-23-15-18(25)16-29-19-5-3-2-4-6-19/h2-10,18,23,25H,11-17H2,1H3,(H,24,26)/t18-/m0/s1
InChI Key:
RVMBDLSFFNKKLG-SFHVURJKSA-N
SMILES:
COCCNC(=O)COc1ccc(cc1)OCCNC[C@@H](COc1ccccc1)O
UNII:
EF5S87KTK2
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
418.21g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
418.49g/mol
Monoisotopic Mass:
418.21g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Predicting in vivo cardiovascular properties of β-blockers from cellular assays: a quantitative comparison of cellular and cardiovascular pharmacological responses. | FASEB journal : official publication of the Federation of American Societies for Experimental Biology 20111201 |
| Relaxation of human detrusor muscle by selective beta-2 and beta-3 agonists and endogenous catecholamines. | Urology 20070401 |
| Role of nitric oxide/cyclic GMP and cyclic AMP in beta3 adrenoceptor-chronotropic response. | Journal of molecular and cellular cardiology 20060401 |
| Activation of beta3 adrenergic receptor decreases DNA synthesis in human skin fibroblasts via cyclic GMP/nitric oxide pathway. | Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology 20050101 |
| Functional and molecular characterization of beta-adrenoceptors in the internal anal sphincter. | The Journal of pharmacology and experimental therapeutics 20030501 |
| Inhibitory effect of beta3-adrenoceptor agonist in lower esophageal sphincter smooth muscle: in vitro studies. | The Journal of pharmacology and experimental therapeutics 20030101 |
| Gastroprotective effect of beta3 adrenoreceptor agonists ZD 7114 and CGP 12177A in rats. | Pharmacological research 20021001 |
| Effect of postnatal age and a beta(3)-adrenergic agonist (Zeneca D7114) administration on uncoupling protein-1 abundance in the lamb. | Experimental physiology 20010101 |
| Adrenergic stimulation of lipoprotein lipase gene expression in rat brown adipocytes differentiated in culture: mediation via beta3- and alpha1-adrenergic receptors. | The Biochemical journal 19970201 |
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