Introduction：Basic information about CAS 549-21-3|8-Oxyberberine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 8-Oxyberberine |
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| CAS Number | 549-21-3 | Molecular Weight | 351.353 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 611.5±55.0 °C at 760 mmHg |
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| Molecular Formula | C20H17NO5 | Melting Point | 200-201ºC |
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| MSDS | / | Flash Point | 323.6±31.5 °C |
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Names
| Name | Oxyberberine |
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| Synonym | More Synonyms |
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8-Oxyberberine BiologicalActivity
| Description | Berlambine is a natural alkaloid isolated from many plants[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Bajpai V, et al. Rapid screening for the adulterants of Berberis aristata using direct analysis in real-time mass spectrometry and principal component analysis for discrimination. Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2015;32(6):799-807. |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 611.5±55.0 °C at 760 mmHg |
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| Melting Point | 200-201ºC |
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| Molecular Formula | C20H17NO5 |
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| Molecular Weight | 351.353 |
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| Flash Point | 323.6±31.5 °C |
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| Exact Mass | 351.110687 |
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| PSA | 58.92000 |
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| LogP | 3.87 |
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| Vapour Pressure | 0.0±1.8 mmHg at 25°C |
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| Index of Refraction | 1.691 |
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| InChIKey | ZHYQCBCBTQWPLC-UHFFFAOYSA-N |
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| SMILES | COc1ccc2cc3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2 |
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| Water Solubility | Insuluble (1.8E-3 g/L) (25 ºC) |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DS0180000
- CHEMICAL NAME :
- 8-Berbinone, 13,13a-didehydro-9,10-dimethoxy-2,3-(methylenedioxy)-
- CAS REGISTRY NUMBER :
- 549-21-3
- BEILSTEIN REFERENCE NO. :
- 0339209
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C20-H17-N-O5
- MOLECULAR WEIGHT :
- 351.38
- WISWESSER LINE NOTATION :
- T G5 D6 C666 HO JO ONV IH&&T&&J RO1 SO1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 240 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 15,486,1981
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Safety Information
Synonyms
| 8H-1,3-Benzodioxolo[5,6-a]benzo[g]quinolizin-8-one, 5,6-dihydro-9,10-dimethoxy- |
| 8-oxoberberine |
| 9,10-Dimethoxy-5,6-dihydro-8H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-8-one |
| 9,10-Dimethoxy-5,6-dihydro-8H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-8-one |
| Ketoberberine |
| berberin-8-one |
| Berlambine |
