化学品概述
基本信息
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中文名称:
大黄酸
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中文别名:
1,8-二羟基-3-羧基蒽醌;大黃酸;大黄提取;大黄提取物RHEUM PALMATUM L.;大磺酸;4,5-二羟蒽醌-2-羧酸;大黄酸标准品 大黄酸对照品;大黄苷,1,8-二羟基-3-羧基蒽醌
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英文名称:
Rhein
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英文别名:
chrysazin-3-carboxylicacid;monorhein;rheicacid;RHUBARB EXTRACT;RHUBARB YELLOW;RHEIN;TIMTEC-BB SBB001152;1,8-DIHYDROXY-9,10-ANTHRAQUINONE-3-CARBOXYLIC ACID
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分子式:
C15H8O6
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分子量:
284.22
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CAS:
478-43-3
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EINECS编号:
207-521-4
- MDL编号:
- 精确质量:
- InChI:
- InChI Key:
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MOL文件:
/Mol/478-43-3.mol
- PSA:
- LogP:
- FEMA编码:
- COE编码:
理化性质
- 外观性质:
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熔点:
≥300 °C(lit.)
- 沸点:
- 密度:
- 折射率:
- 比旋光度:
- 闪点:
- 溶解性:
-
酸度系数(pKa):
<0.1 g/100 mL at 17 ºC
- 相对极性:
- PH值:
- 爆炸极限值(explosive limit):
- 敏感性:
-
储存条件:
2-8°C
- 检测方法:
- 蒸气压:
-
Merck:
14,8176
- BRN:
- NIST化学物质信息:
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EPA化学物质信息:
http://iaspub.epa.gov/sor_internet/registry/substreg/searchandretrieve/advancedsearch/search.do?search=?search=&searchCriteria(advancedCriteria)=casNumber=478-43-3
安全信息
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危化品标志:
Xi
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危化代码:
36/37/38
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安全代码:
26-37/39
- 海关编码/HS编码:
- 危化品运输编码:
-
WGK Germany:
2
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RTECS:
CA9516000
- TSCA:
- 危化等级:
- 包装类别:
- 毒理资料:
- 灭火剂:
应用领域
医药中间体、保健食品原料具抗炎,抗骨关节炎,及抗癌活性。它降低IL -1β的产生和分泌,诱导一氧化氮合成酶的活性,磷酸化的c - Jun和c - Jun氨基末端激酶(JNK)的磷酸化。
制备方法/合成路线
参考资料
- Found in the free state and as glucoside in Rheum spp, Polygonaceae (rhubarb) and in Senna leaves; also in several spp of Cassia (Leguminosae). Diacetate used as antirheumatic. Isoln from Chinese rhubarb: J. Schlossberger, O. Doepping, Ann. 50, 196 (1844); O. Hesse, ibid. 309, 32 (1899); F. Tutin, H. W. B. Clewer, J. Chem. Soc. 99, 946 (1911); from aloe-emodin, q.v.: O. A. Oesterle, Arch. Pharm. 241, 604 (1903); from Cassia alata L.: H. Hauptmann, L. L. Nazario, J. Am. Chem. Soc. 72, 1492 (1950); from C. fistula: V. K. Murty et al., Tetrahedron 23, 515 (1967). Prepn from chrysophanic diacetate: Fischer et al., J. Prakt. Chem. [2] 83, 208; 84, 369 (1911). Structure: H. Nawa et al., J. Org. Chem. 26, 979 (1961). Use in arthritis: C. A. Friedmann, DE 2711493; idem, US 4244968 (1977, 1981 both to Proter). Spectrophotometric study: A. A. Habib, N. A. El-Sebakhy, J. Nat. Prod. 43, 452 (1980). Determn by gas chromatography, mass spectroscopy: G. W. Van Eijk, H. J. Roeijmans, J. Chromatogr. 295, 497 (1984); HPLC: A. J. J. Van den Berg, R. P. Labadie, ibid. 329, 311 (1985). Pharmacological effects on colonic mucosa: R. Wanitschke, Pharmacology 20, Suppl. 1, 21 (1980); K. Ewe, ibid. 27. Metabolism study: J. Lemli, L. Lemmons, ibid. 50. In electron transport: P. Egerer et al., Z. Physiol. Chem. 363, 627 (1982). Inhibition of proteases: L. Raimondi et al., Pharmacol. Res. Commun. 14, 103 (1982). Effect on prostaglandin biosynthesis: S. Franchi-Micheli et al., J. Pharm. Pharmacol. 35, 262 (1983).
- MSDS
图谱
计算化学数据
- 疏水参数计算参考值(XlogP):
- 氢键供体数量 :
- 氢键受体数量:
- 可旋转化学键数量:
- 拓扑分子机型表面积(TPSA) :
- 重原子数量:
- 形式电荷:
- 复杂度:
- 同位素原子数量:
- 确定原子立构中心数量:
- 不确定原子立构中心数量:
- 确定化学键立构中心数量:
- 不确定化学键立构中心数量:
- 共价键单元数量: