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曲安西龙
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| 中文名 |
曲安西龙 |
|---|---|
| 英文名 |
triamcinolone |
| 中文别名 |
去炎松 | 曲安奈德 | 9a-氟-11b,16a,17a,21-四羟基-1,4-孕烯-3,20-二酮 | 氟羟泼尼松龙 |
| 英文别名 |
更多 |
| 描述 |
Triamcinolone是合成的长效糖皮质激素。 |
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| 相关类别 |
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| 溶解度 |
体外：
DMSO：≥30mg / mL（76.06 mM） * “≥”表示可溶，但饱和度未知。
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| 储备液 |
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| 存储 |
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| 运输 |
室温;可能会有所不同 |
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| SMILES |
F[C@@]1([C@]2(C=C3)C)[C@](CCC2=CC3=O)([H])[C@@](C[C@@H](O)[C@]4(O)C(CO)=O)([H])[C@]4(C)C[C@@H]1O |
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| 参考文献 |
[1]. https://www.drugbank.ca/drugs/DB08908#targets
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| 相关活性 小分子 |
氢化可的松 | 米非司酮 | 皮质酮 | 泼尼松 | 原人参三醇 | 氟替卡松丙酸酯 | 可的松 | 曲安奈德 | AL 082D06 | 糖皮质激素受体激动剂 | Mapracorat | 环索奈德 | 丙酸倍氯米松 | 丙酸氯倍他索 | Cort108297 |
| 密度 | 1.4±0.1 g/cm3 |
|---|---|
| 沸点 | 587.5±50.0 °C at 760 mmHg |
| 熔点 | 262-263?°C(lit.) |
| 分子式 | C21H27FO6 |
| 分子量 | 394.434 |
| 闪点 | 309.1±30.1 °C |
| 精确质量 | 394.179169 |
| PSA | 115.06000 |
| LogP | 0.83 |
| 外观性状 | 白色至灰白色结晶粉末 |
| 蒸汽压 | 0.0±3.7 mmHg at 25°C |
| 折射率 | 1.618 |
| 储存条件 |
贮存：室温密封存放 |
| 稳定性 |
基本性质：肾上腺皮质激素及促肾上腺皮质激素药。 抗炎作用较氢化可的松、泼尼松均强。水钠潴留作用则较轻微。口服易吸收。 |
| 分子结构 |
1、 摩尔折射率：97.14 2、 摩尔体积（cm3/mol）：277.3 3、 等张比容（90.2K）：789.3 4、 表面张力（dyne/cm）：65.5 5、 极化率（10-24cm3）：38.51 |
| 计算化学 |
1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:4 3.氢键受体数量:7 4.可旋转化学键数量:2 5.互变异构体数量:9 6.拓扑分子极性表面积115 7.重原子数量:28 8.表面电荷:0 9.复杂度:807 10.同位素原子数量:0 11.确定原子立构中心数量:8 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 更多 |
1.性状：白色或近白色结晶性粉末，无臭，味苦 2.溶解性：微溶于水，稍溶于乙醇、氯仿、乙醚等 |
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曲安西龙毒性英文版
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| 符号 |
GHS08 |
|---|---|
| 信号词 |
Warning |
| 危害声明 |
H351 |
| 警示性声明 |
P280 |
| 个人防护装备 |
dust mask type N95 (US);Eyeshields;Gloves |
| 危害码 (欧洲) |
Xn:Harmful |
| 风险声明 (欧洲) |
R40 |
| 安全声明 (欧洲) |
S22-S36 |
| 危险品运输编码 | NONH for all modes of transport |
| WGK德国 | 3 |
| RTECS号 | TU3850000 |
| 海关编码 | 2937229000 |
| 曲安西龙上游产品? 7 | |
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| 曲安西龙下游产品? 5 | |
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![Pregna-1,4-diene-3,20-dione,9-fluoro-11,21-dihydroxy-16,17-[(1-phenylethylidene)bis(oxy)]-, (11b,16a)- (9CI)结构式](https://www.chemsrc.com/caspic/116/3092-82-8.png)
| 海关编码 | 2937229000 |
|---|
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Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species. Chem. Res. Toxicol. 23 , 171-83, (2010)
Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental…
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Translating clinical findings into knowledge in drug safety evaluation–drug induced liver injury prediction system (DILIps). J. Sci. Ind. Res. 65(10) , 808, (2006)
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Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins Bioorg. Med. Chem. 17 , 896-904, (2009)
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