| Chemical & Physical Properties | |
|---|---|
| CAS Number | 39552-01-7 |
| Catalog No. | 2A-9009313 |
| Chinese Name | 苯呋洛尔 |
| Synonyms | Befunolol HCl; (±)-Befunolol |
| Molecular Formula | C16H21NO4 |
| Molecular Weight | 291.34200 |
| Purity | 98.00 |
| Density | 1.1049 (rough estimate) |
| Boiling Point | 433.35°C (rough estimate) |
| Melting Point | 115° |
| Storage Condition | -20°C, sealed, dry |
| Application | (±)-Befunolol is a beta-adrenergic receptor blocker. |
| HTC | 2932999099 |
| SMILES | CC(=O)c1cc2cccc(OCC(O)CNC(C)C)c2o1 |
| InChI | InChI=1S/C16H21NO4.ClH/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14;/h4-7,10,13,17,19H,8-9H2,1-3H3;1H |
| InChI Key | ZPQPDBIHYCBNIG-UHFFFAOYSA-N |
| Use of | (±)-Befunolol is a β-adrenoceptor blocking agent. Properties Name 1-[7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-yl]ethanone Synonym More Synonyms (±)-Befunolol Biological Activity Description (±)-Befunolol is a β-adrenoceptor blocking agent. Related Catalog Signaling Pathways >> GPCR/G Protein >> Adrenergic Receptor Research Areas >> Cardiovascular Disease Adrenoreceptor[1] In Vitro A β-adrenoceptor blocking agent, Befunolol, is found to has intrinsic sympathomimetic activities in isolated right atria, trachea and taenia caecum of guinea pig (intrinsic activities are 0.22-0.28). The pD2-values of Befunolol estimated in the isolated organs are significantly different from its pA2-values against isoprenaline. Befunolol interacts with the beta-adrenoceptor where there may be two different sites: one site for agonistic action and the other for competitive antagonistic action. The intrinsic activity of Befunolol may be equal to its selectivity for both the sites[1]. References [1]. Takayanagi I, et al. A beta-adrenoceptor blocking agent, befunolol as a partial agonist in isolated organs. Gen Pharmacol. 1985;16(3):265-7. Chemical & Physical Properties Molecular Formula C16H21NO4 Exact Mass 291.14700 PSA 71.70000 LogP 2.76400 Index of Refraction 1.5500 (estimate) InChIKey ZPQPDBIHYCBNIG-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Ketone, 7-(2-hydroxy-3-(isopropylamino)propoxy)-2-benzofurany l methyl CAS REGISTRY NUMBER : 39552-01-7 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C16-H21-N-O4 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : GWXXBX German Offenlegungsschrift Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2223184 Safety Information HS Code 2932999099 Synthetic Route 3-isopropyl-5-(... CAS#:53943-39-8 (±)-Befunolol CAS#:39552-01-7 Literature: Kakenyaku Kako Co., Ltd. Patent: US4056626 A1, 1977 ; US 4056626 A 2-acetyl-7-(2-h... CAS#:39552-12-0 2-Bromopropane CAS#:75-26-3 (±)-Befunolol CAS#:39552-01-7 Literature: Kakenyaku Kako Co., Ltd. Patent: US4056626 A1, 1977 ; US 4056626 A 2-phenyl-3-isop... CAS#:39552-17-5 (±)-Befunolol CAS#:39552-01-7 Literature: Kakenyaku Kako Co., Ltd. Patent: US4056626 A1, 1977 ; US 4056626 A Precursor & DownStream Precursor 10 CAS#:53943-39-8 3-isopropyl-5-(... CAS#:39552-12-0 2-acetyl-7-(2-h... CAS#:75-26-3 2-Bromopropane CAS#:39552-17-5 2-phenyl-3-isop... DownStream 1 CAS#:55636-92-5 2-(hydroxyethyl... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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