化学品概述
无色结晶性粉末或有光泽的棱柱状或片状结晶;无臭,无味。几乎不溶于水,微溶于乙醇与乙醚,溶于氯仿。
基本信息
-
中文名称:
那可汀
-
中文别名:
那可汀;那可汀[鹼];纳可丁;(S,R)-那可汀;(S,R)-诺司卡品;诺司卡品
-
英文名称:
Narcotine
- 英文别名:
-
分子式:
C22H23NO7
-
分子量:
413.42052 [g/mol]
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CAS:
128-62-1
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EINECS编号:
204-899-2
- MDL编号:
-
精确质量:
413.147452
- InChI:
- InChI Key:
-
MOL文件:
128-62-1.mol
- PSA:
- LogP:
- FEMA编码:
- COE编码:
理化性质
- 外观性质:
-
熔点:
174-176 °C(lit.)
- 沸点:
-
密度:
1.395
- 折射率:
-
比旋光度:
-200 º (c=1 in chloroform)
- 闪点:
- 溶解性:
- 酸度系数(pKa):
- 相对极性:
- PH值:
- 爆炸极限值(explosive limit):
- 敏感性:
-
储存条件:
-20°C Freezer, Under Inert Atmosphere
- 检测方法:
- 蒸气压:
-
Merck:
13,6752
- BRN:
-
NIST化学物质信息:
http://webbook.nist.gov/cgi/cbook.cgi?ID=128-62-1&Units=SI
- EPA化学物质信息:
安全信息
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危化品标志:
Xn
-
危化代码:
22
-
安全代码:
24/25
- 海关编码/HS编码:
-
危化品运输编码:
1544
-
WGK Germany:
3
-
RTECS:
RD2625000
- TSCA:
-
危化等级:
6.1(b)
-
包装类别:
III
- 毒理资料:
- 灭火剂:
应用领域
支气管解痉性镇咳药。
制备方法/合成路线
参考资料
- An opium alkaloid, isolated from the plant Papaver somniferum L. Papaveraceae. Present in amounts up to 11% depending on season and locality. First isoln: Robiquet, Ann. Chim. Phys. [2] 5, 275 (1817). Extractable from the water-insoluble residue remaining from the processing of opium for the manufacture of morphine. Racemization to gnoscopine: Rabe, McMillian, Ann. 377, 233 (1910); and structural studies: Perkin, Robinson, J. Chem. Soc. 99, 775 (1911); Marshall et al., ibid. 1934, 1318. Preliminary stereochemical studies: Ohta et al., Tetrahedron Lett. 1963, 1857; Battersby, Spenser, J. Chem. Soc. 1965, 1087. Revised stereochemistry: Blaha et al., Collect. Czech. Chem. Commun. 29, 2328 (1964); Snatzke et al., Tetrahedron 25, 5059 (1969). Synthesis of racemate: Kerekes, Bognar, J. Prakt. Chem. 313, 923 (1971). Biosynthesis: Battersby, Hirst, Tetrahedron Lett. 1965, 669. Metabolism: N. Tsunoda, Y. Yoshimura, Xenobiotica 9, 181 (1979); eidem, ibid. 11, 23 (1981). Pharmacokinetics: B. Dhalstroem et al., Eur. J. Clin. Pharmacol. 22, 535 (1982). Clinical evaluation as antitussive: D. W. Empey et al., ibid. 16, 393 (1979). HPLC determn in serum: K. M. Jensen, J. Chromatogr. 274, 381 (1983). Comprehensive description: M. A. Al-Yahya, M. M. A. Hassan, Anal. Profiles Drug Subs. 11, 407-461 (1982).
- MSDS
图谱
计算化学数据
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疏水参数计算参考值(XlogP):
2.7
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氢键供体数量 :
0
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氢键受体数量:
8
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可旋转化学键数量:
4
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拓扑分子机型表面积(TPSA) :
75.7
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重原子数量:
30
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形式电荷:
0
-
复杂度:
647
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同位素原子数量:
0
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确定原子立构中心数量:
2
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不确定原子立构中心数量:
0
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确定化学键立构中心数量:
0
-
不确定化学键立构中心数量:
0
-
共价键单元数量:
1