Introduction：Basic information about CAS 54063-54-6|Reproterol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Reproterol |
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| CAS Number | 54063-54-6 | Molecular Weight | 389.41 |
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| Density | 1.47g/cm3 | Boiling Point | 723.4ºC at 760mmHg |
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| Molecular Formula | C18H23N5O5 | Melting Point | / |
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| MSDS | / | Flash Point | 391.3ºC |
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Names
| Name | 7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione |
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| Synonym | More Synonyms |
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Reproterol BiologicalActivity
| Description | Reproterol is a dual acting β2-adrenoceptor agonist and PDE inhibitor. The theophylline constituent of Reproterol inhibits phosphodiesterase activity induced by adenylyl cyclase. Reproterol has the potential for asthma research[1][2]. |
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| Related Catalog | Signaling Pathways >>Metabolic Enzyme/Protease >>Phosphodiesterase (PDE)Signaling Pathways >>GPCR/G Protein >>Adrenergic ReceptorResearch Areas >>Inflammation/Immunology |
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| Target | β2 adrenoceptor |
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| References | [1]. Uwe R Juergens, et al. Different mechanisms of action of beta2-adrenergic receptor agonists: a comparison of reproterol, fenoterol and salbutamol on monocyte cyclic-AMP and leukotriene B4 production in vitro. Eur J Med Res. 2004 Jul 30;9(7):365-70. [2]. C G Georgakopoulos, et al. Excretion study of the beta2-agonist reproterol in human urine. J Chromatogr B Biomed Sci Appl. 1999 Apr 16;726(1-2):141-8. |
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Chemical & Physical Properties
| Density | 1.47g/cm3 |
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| Boiling Point | 723.4ºC at 760mmHg |
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| Molecular Formula | C18H23N5O5 |
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| Molecular Weight | 389.41 |
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| Flash Point | 391.3ºC |
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| Exact Mass | 389.17000 |
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| PSA | 134.54000 |
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| InChIKey | WVLAAKXASPCBGT-UHFFFAOYSA-N |
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| SMILES | Cn1c(=O)c2c(ncn2CCCNCC(O)c2cc(O)cc(O)c2)n(C)c1=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XH5098950
- CHEMICAL NAME :
- Theophylline, 7-(3-((2-(3,5-dihydroxyphenyl)-2-hydroxyethyl)amino)p ropyl)-
- CAS REGISTRY NUMBER :
- 54063-54-6
- BEILSTEIN REFERENCE NO. :
- 0590567
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C18-H23-N5-O5
- MOLECULAR WEIGHT :
- 389.46
- WISWESSER LINE NOTATION :
- T56 BN DN FNVNVJ B3N2QR CQ EQ& F1 H1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 145 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 27,14,1977
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Synonyms
| Reproterol [INN:BAN] |
| EINECS 258-956-1 |
| 7-{3-[2-(3,5-dihydroxy-phenyl)-2-hydroxy-ethylamino]-propyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione |
| 7-{3-[2-(3,5-dihydroxyphenyl)-2-hydroxyethylamino]-propyl}-theophylline |
| Theophylline,7-(3-((2-(3,5-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl) |
| Reproterolum [INN-Latin] |
| 7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione |
| 7-<3-<2-(3,5-dihydroxyphenyl)-2-hydroxyethylamino>propyl>-theophyllin |
| D 1959 |
| Reproterol |
