CAS号:21715-46-8-Etifoxine - Etifoxine-科华智慧

1. 主信息

英文名:	Etifoxine
中文名:	Etifoxine
CAS编号:	21715-46-8
化学分子式：	C₁₇H₁₇ClN₂O
化学分子量：	300.8 g/mol
SMILES：	CCN=C1NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3
来源：	合成化合物
结构类型：	-
其它名称或标识：	2-ethylamino-6-chloro-4-methyl-4-phenyl-4H-3,1-benzoxazine etafenoxine etafenoxine hydrochloride etifoxin etifoxine

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	5mg	99%	624	-20℃	现货	-
科华智慧	10mg	99%	880	-20℃	现货	-
科华智慧	50mg	99%	3120	-20℃	现货	-
科华智慧	100mg	99%	5440	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 38 40 0 1 0 0 0 0 0999 V2000 -2.8151 4.0430 -0.0594 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0212 -1.1552 0.6397 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0977 0.7441 -0.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2218 -1.3061 0.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2378 -0.4405 0.8858 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2459 0.9842 0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3101 -1.3054 0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3253 -0.3739 2.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9374 1.5223 -0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4049 1.7791 0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1586 -0.5677 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2854 -1.5051 -1.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3121 -1.8937 0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9473 2.8379 -0.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3858 3.0861 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2094 3.6156 -0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -2.2929 -1.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2891 -2.6814 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2644 -2.8811 -0.9993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3959 -0.6246 -0.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5678 -1.5846 -0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2376 -1.3699 2.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2507 0.0934 2.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5105 0.2098 2.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3254 1.3718 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9149 1.2206 -0.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 -1.0582 -1.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3771 -1.7659 2.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8599 3.2659 -1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1762 4.6325 -1.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2428 -2.4491 -2.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0702 -3.1391 0.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0252 -3.4945 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2359 -0.2906 -1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6659 0.2367 0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7799 -1.9389 0.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3579 -2.4615 -1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4669 -1.0961 -0.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 26 1 0 0 0 0 4 11 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 10 25 1 0 0 0 0 12 17 1 0 0 0 0 12 27 1 0 0 0 0 13 18 2 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

6-chloro-N-ethyl-4-methyl-4-phenyl-1H-3,1-benzoxazin-2-imine

4.2 InChl

InChI=1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)

4.3 InChlKey

IBYCYJFUEJQSMK-UHFFFAOYSA-N

4.4 Canonical SMILES

CCN=C1NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型