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质量水平
方案
97%
折射率
n20/D 1.568 (lit.)
沸点
113-116 °C/6 mmHg (lit.)
mp
2-7 °C (lit.)
密度
1.099 g/mL at 25 °C (lit.)
SMILES字符串
O=C1CCCc2ccccc12
InChI
1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2
InChI key
XHLHPRDBBAGVEG-UHFFFAOYSA-N
基因信息
human ... CYP2A6(1548)
mouse ... Cyp2a5(13087)
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Warning
危险声明
危险分类
Acute Tox. 4 Oral
储存分类代码
10 - Combustible liquids
WGK
WGK 3
闪点(°F)
230.0 °F - closed cup
闪点(°C)
110 °C - closed cup
个人防护装备
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Kunal Roy et al.
European journal of medicinal chemistry, 44(5), 1941-1951 (2008-12-27)
A series of naphthalene and non-naphthalene derivatives (n=42) having cytochrome P450 2A6 and 2A5 inhibitory activities, reported by Rahnasto et al., were subjected to QSAR and QAAR studies. The analyses were performed using electronic, spatial, shape and thermodynamic descriptors to
Minna Rahnasto et al.
Journal of medicinal chemistry, 48(2), 440-449 (2005-01-22)
The purpose of this study was to develop screening and in silico modeling methods to obtain accurate information on the active center of CYP2A6, a nicotine oxidizing enzyme. The inhibitory potencies of 26 naphthalene and 16 non-naphthalene derivatives were determined
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