Introduction：Basic information about CAS 477-57-6|Isotetrandrine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isotetrandrine |
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| CAS Number | 477-57-6 | Molecular Weight | 622.750 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 710.5±60.0 °C at 760 mmHg |
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| Molecular Formula | C38H42N2O6 | Melting Point | 180-182ºC |
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| MSDS | / | Flash Point | 175.8±30.1 °C |
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Names
| Name | Isosinomenin A |
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| Synonym | More Synonyms |
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Isotetrandrine BiologicalActivity
| Description | Isotetrandrine is a bioactive component in S. acutum[1]. |
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| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology |
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| In Vitro | Fangchi, derived from the rhizoma of S. acutum and the radix of S. tetrandra and S. acutum, has been widely used for the treatment of rheumatic arthritis[1]. |
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| References | [1]. Kim, Ji Hee et al. UHPLC Separation of Structurally Diverse Markers in Fangchi Species. (2013). |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 710.5±60.0 °C at 760 mmHg |
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| Melting Point | 180-182ºC |
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| Molecular Formula | C38H42N2O6 |
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| Molecular Weight | 622.750 |
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| Flash Point | 175.8±30.1 °C |
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| Exact Mass | 622.304260 |
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| PSA | 61.86000 |
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| LogP | 3.55 |
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| Vapour Pressure | 0.0±2.3 mmHg at 25°C |
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| Index of Refraction | 1.586 |
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| InChIKey | WVTKBKWTSCPRNU-XZWHSSHBSA-N |
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| SMILES | COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1C(C2)N(C)CC3 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NX7285000
- CHEMICAL NAME :
- 1-Isotetrandrine
- CAS REGISTRY NUMBER :
- 477-57-6
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C38-H42-N2-O6
- MOLECULAR WEIGHT :
- 622.82
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 6400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 65(5),176S,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 160 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - active as anti-cancer agent
- REFERENCE :
- CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 24,2413,1976
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Safety Information
Synonyms
| O,O'-Dimethylobamegine |
| isotetrandine |
| O-Methylberbamine |
| O,O'-Dimethylstepholine |
| 6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman |
| Isosinomenine A |
| 6,7,12,6'-tetramethoxy-2,2'-dimethyl-berbamane |
| 1R,1'S isotetrandrine |
| 1-isotetrandrine |
