CAS号:63284-71-9-2-Chloro-4-Fluoro-Alpha-(Pyrimidin-5-yl)Benz Hydroxylalcohol

1. 主信息

英文名:	Nuarimol
中文名:	2-Chloro-4-Fluoro-Alpha-(Pyrimidin-5-yl)Benz Hydroxylalcohol
CAS编号:	63284-71-9
化学分子式：	C₁₇H₁₂ClFN₂O
化学分子量：	314.7 g/mol
SMILES：	C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CN=CN=C3)O)Cl
来源：	合成化合物
结构类型：	-
其它名称或标识：	alpha-(2-chlorophenyl)-alpha-(4-fluorophenyl)-5-pyrimidine methanol nuarimol nuarimol, (+-)-isomer Trimidal

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	1.2ml	100μg/ml in methylbenzene:acetone(9:1)	120	2-8℃	现货	-
科华智慧	1.2ml	1000μg/ml in methanol	360	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 34 36 0 1 0 0 0 0 0999 V2000 0.9418 2.5792 1.5801 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1603 -0.6638 -0.7454 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3485 0.0528 2.0362 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 -3.1158 -1.1714 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0732 -2.5846 0.6848 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2702 -0.0734 0.5796 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1708 -0.2299 0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9074 1.2619 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1846 -1.2930 0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6721 0.3527 -0.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 -0.9595 1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3927 2.4458 0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9596 1.1257 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.0575 -0.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2639 -1.5428 0.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0196 0.2055 -1.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 -1.1064 0.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9879 3.6140 0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 2.2939 -1.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 -0.5241 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0692 3.5380 -0.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7031 -3.3186 -0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0419 0.9041 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6509 -1.4398 1.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3741 0.2049 -1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4366 0.5217 2.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0171 -1.8997 -1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5754 -0.9501 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4092 0.6538 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0231 -1.6775 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6212 4.5913 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3921 2.2365 -1.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5318 4.4475 -1.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3353 -4.1618 -0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 20 1 0 0 0 0 3 6 1 0 0 0 0 3 26 1 0 0 0 0 4 14 2 0 0 0 0 4 22 1 0 0 0 0 5 15 1 0 0 0 0 5 22 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 2 0 0 0 0 9 14 1 0 0 0 0 9 15 2 0 0 0 0 10 16 1 0 0 0 0 10 23 1 0 0 0 0 11 17 2 0 0 0 0 11 24 1 0 0 0 0 12 18 2 0 0 0 0 13 19 1 0 0 0 0 13 25 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 20 2 0 0 0 0 16 29 1 0 0 0 0 17 20 1 0 0 0 0 17 30 1 0 0 0 0 18 21 1 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-ylmethanol

4.2 InChl

InChI=1S/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22,13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11,22H

4.3 InChlKey

SAPGTCDSBGMXCD-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CN=CN=C3)O)Cl

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