CAS号:1246525-60-9-SR1078 - N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-(trifluoromethyl)benzamide-科华智慧

1. 主信息

英文名:	N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-(trifluoromethyl)benzamide
中文名:	SR1078
CAS编号:	1246525-60-9
化学分子式：	C₁₇H₁₀F₉NO₂
化学分子量：	431.25 g/mol
SMILES：	C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)C(F)(F)F
来源：	合成化合物
结构类型：	-
其它名称或标识：	N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-4-(trifluoromethyl)benzamide SR 1078 SR-1078 SR1078

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	1mg	99%	264	-20℃	现货	-
科华智慧	2mg	99%	408	-20℃	现货	-
科华智慧	5mg	99%	512	-20℃	现货	-
科华智慧	10mg	99%	1000	-20℃	现货	-
科华智慧	25mg	99%	1400	-20℃	现货	-
科华智慧	50mg	99%	2720	-20℃	现货	-
科华智慧	100mg	99%	5200	-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 39 40 0 0 0 0 0 0 0999 V2000 5.0092 1.1299 1.8512 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8885 -1.0268 2.1591 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6668 -0.1471 1.2605 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9718 2.0142 -0.7685 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8685 0.5268 -2.3560 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6456 0.6567 -1.1098 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.3037 -0.4986 0.3830 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.7103 1.4114 1.2222 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.9408 1.1970 -0.9295 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1178 -1.5554 -0.5291 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6681 -2.0575 -0.7559 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0162 0.0435 0.0603 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 -0.2501 -0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1831 -0.1738 -0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3162 -0.0672 1.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2983 0.7418 -1.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4174 -1.2615 -0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5561 0.9858 0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -0.0300 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -1.1896 -0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1636 1.0578 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3491 -0.5527 -0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9506 -0.9317 -0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0317 0.1737 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3207 -1.5316 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7188 0.7894 -0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6620 -1.1685 0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0602 1.1526 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4658 0.5614 0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8656 -2.1801 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1204 1.8531 0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5011 -2.0706 -0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6876 1.9680 0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9832 -2.1833 0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3622 0.9168 0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0533 -2.5823 0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0046 1.5827 -0.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4041 -1.9451 0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3403 2.1999 -0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 5 16 1 0 0 0 0 6 16 1 0 0 0 0 7 29 1 0 0 0 0 8 29 1 0 0 0 0 9 29 1 0 0 0 0 10 13 1 0 0 0 0 10 34 1 0 0 0 0 11 23 2 0 0 0 0 12 19 1 0 0 0 0 12 23 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 17 20 1 0 0 0 0 17 30 1 0 0 0 0 18 21 2 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 25 27 1 0 0 0 0 25 36 1 0 0 0 0 26 28 2 0 0 0 0 26 37 1 0 0 0 0 27 38 1 0 0 0 0 28 39 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-(trifluoromethyl)benzamide

4.2 InChl

InChI=1S/C17H10F9NO2/c18-15(19,20)11-3-1-9(2-4-11)13(28)27-12-7-5-10(6-8-12)14(29,16(21,22)23)17(24,25)26/h1-8,29H,(H,27,28)

4.3 InChlKey

DUXWIYXHHGNUJU-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)C(F)(F)F

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