32000
巴比妥
purum, ≥98.0% (T)
别名:
5,5-二乙基-2,4,6(1H,3H,5H)-嘧啶三酮, 5,5-二乙基巴比妥酸, 佛罗拿, 巴比通
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关于此项目
经验公式（希尔记法）:
C8H12N2O3
化学文摘社编号:
分子量:
184.19
Beilstein:
163999
EC 号:
MDL编号:
UNSPSC代码:
12352200
等级
purum
方案
≥98.0% (T)
药品控制
regulated under CDSA - not available from Sigma-Aldrich Canada
mp
188-192 °C
SMILES字符串
CCC1(CC)C(=O)NC(=O)NC1=O
InChI
1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChI key
FTOAOBMCPZCFFF-UHFFFAOYSA-N
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生化/生理作用
镇静剂/催眠药
其他说明
可能实行销售限制
Naomi L Kruhlak et al.
Toxicology mechanisms and methods, 18(2-3), 217-227 (2008-01-01)
ABSTRACT Drug-induced phospholipidosis (PL) is a condition characterized by the accumulation of phospholipids and drug in lysosomes, and is found in a variety of tissue types. PL is frequently manifested in preclinical studies and may delay or prevent the development
Bram Baert et al.
Bioorganic & medicinal chemistry, 15(22), 6943-6955 (2007-09-11)
A set of 116 structurally very diverse compounds, mainly drugs, was characterized by 1630 molecular descriptors. The biological property modelled in this study was the transdermal permeability coefficient logK(p). The main objective was to find a limited set of suitable
Michael H Abraham et al.
European journal of medicinal chemistry, 43(3), 478-485 (2007-06-05)
Values of in vitro gas to lung partition coefficients, K(lung), of VOCs have been collected from the literature. For 44 VOCs, application of the Abraham solvation equation to log K(lung) yielded a correlation with R(2)=0.968 and S.D.=0.25 log units. Combination
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
Giulia Caron et al.
Journal of medicinal chemistry, 48(9), 3269-3279 (2005-04-29)
Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm of the partition coefficient of the neutral species in
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