恩格列酮 | 109229-58-5
中文名称:
恩格列酮
英文名称:
Englitazone
CAS No.:
109229-58-5
分子式:
C2 0 H1 9 NO3 S
分子量:
353.43476
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:恩格列酮结构式
名称和标识符
InChIKey
MVDXXGIBARMXSA-PYUWXLGESA-N
Inchi
InChI=1S/C20H19NO3S/c22-19-18(25-20(23)21-19)12-14-6-9-17-15(10-14)7-8-16(24-17)11-13-4-2-1-3-5-13/h1-6,9-10,16,18H,7-8,11-12H2,(H,21,22,23)/t16-,18?/m1/s1
SMILES
S1C(N([H])C(C1CC1C=CC2=C(C=1)CC[C@H](CC1C=CC=CC=1)O2)=O)=O
别名信息
- 英文别名 -
2,4-Thiazolidinedione,5-[[3,4-dihydro-2-(phenylmethyl)-2H-1-benzopyran-6-yl]methyl]-
Englitazone
5-(2-benzyl-3,4-dihydro-2H-benzopyran-6-ylmethyl)-thiazolidine-2,4-dione
5-[(2-benzyl-3,4-dihydro-2H-benzopyran-6-yl)methyl] thiazolidine-2,4-dione
5-[(2-benzyl-3,4-dihydro-2H-benzopyran-6-yl)methyl]thiazolidine-2,4dione
5-[[(R)-2-Benzyl-3,4-dihydro-2H-1-benzopyran]-6-ylmethyl]thiazolidine-2,4-dione
5-[[2-Benzyl-3,4-dihydro-2H-1-benzopyran]-6-ylmethyl]thiazolidine-2,4-dione
5-thiazolidine-2,4-dione
CP-68722
EH-451K
EH-455K
EH-55K
物化性质
实验特性
LogP
3.63160
PSA
71.91000
折射率
1.638
沸点
562.7°Cat760mmHg
闪点
294.1°C
密度
1.3
计算特性
精确分子量
375.09100
氢键供体数量
1
氢键受体数量
4
可旋转化学键数量
4
同位素质量
353.109
重原子数量
25
复杂度
505
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
2
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
拓扑分子极性表面积
80.7A^2
海关数据
海关编码
2934999090
海关数据
中国海关编码:
2934999090
概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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