化学品概述
可燃, 火场排出辛辣刺激烟雾
基本信息
- 中文名称:
- 中文别名:
- 英文名称:
- 英文别名:
- 分子式:
- 分子量:
- CAS:
- EINECS编号:
- MDL编号:
- 精确质量:
- InChI:
- InChI Key:
- MOL文件:
- PSA:
- LogP:
- FEMA编码:
- COE编码:
理化性质
-
外观性质:
powder;off-white
-
熔点:
282-232 °C
-
沸点:
520℃
-
密度:
1.23
- 折射率:
-
比旋光度:
D25 -26.19° (c = 1.68 in CHCl3)
-
闪点:
172℃
-
溶解性:
172℃
-
酸度系数(pKa):
DMSO: 5 mg/mL stable at least 6 months at room temperature
- 相对极性:
- PH值:
- 爆炸极限值(explosive limit):
- 敏感性:
-
储存条件:
−20°C
- 检测方法:
- 蒸气压:
-
Merck:
14,2476
- BRN:
- NIST化学物质信息:
- EPA化学物质信息:
安全信息
-
危化品标志:
Xn
-
危化代码:
21
-
安全代码:
22-36/37
- 海关编码/HS编码:
- 危化品运输编码:
-
WGK Germany:
3
-
RTECS:
QL6150000
- TSCA:
- 危化等级:
- 包装类别:
-
毒理资料:
中毒
-
灭火剂:
砂土, 二氧化碳, 泡沫, 雾状水
应用领域
制备方法/合成路线
参考资料
- Diterpene isolated from Coleus forskohlii, Briq. Labiatae, possessing vasodilating and cardiostimulatory properties. Isoln and characterization: S. V. Bhat et al., Tetrahedron Lett. 1977, 1669; eidem, DE 2557784; eidem, US 4088659 (1977, 1978 both to Hoechst). Synthesis by hydroxylation of 9-deoxyforskolin: N. J. Hrib, Tetrahedron Lett. 28, 19 (1987); see also F. E. Ziegler et al., J. Am. Chem. Soc. 109, 8115 (1987). Stereocontrolled synthesis of the 3-ring system: S. Hashimoto et al., Chem. Commun. 1987, 24. Total synthesis of (±)-forskolin: S. Hashimoto et al., J. Am. Chem. Soc. 110, 3670 (1988); E. J. Corey et al., ibid. 3672. Positive inotropic and blood-pressure lowering activity: E. Lindner et al., Arzneim.-Forsch. 28, 284 (1978). Activates adenylate cyclase: H. Metzger, E. Lindner, ibid. 31, 1248 (1981). Binds to catalytic site of adenylate cyclase: T. Pfeuffer, H. Metzger, FEBS Lett. 146, 369 (1982). Lowers intraocular pressure: J. Capriolli, M. Sears, Lancet 1, 958 (1983). In treatment of glaucoma: eidem, US 4476140 (1984 to Yale University). Reviews: K. B. Seaman, J. W. Daly, J. Cyclic Nucleotide Res. 1981, 201; K. B. Seaman, "Forskolin and Adenylate Cyclase: New Opportunities in Drug Design" in Annu. Rep. Med. Chem. 19, D. M. Bailey, Ed. (Academic Press, New York, 1984) pp 293-302.
- MSDS
图谱
计算化学数据
-
疏水参数计算参考值(XlogP):
1
-
氢键供体数量 :
3
-
氢键受体数量:
7
-
可旋转化学键数量:
3
-
拓扑分子机型表面积(TPSA) :
113
-
重原子数量:
29
-
形式电荷:
0
-
复杂度:
747
-
同位素原子数量:
0
-
确定原子立构中心数量:
8
-
不确定原子立构中心数量:
0
-
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