CAS号:107534-96-3-- - Tebuconazole-科华智慧

1. 主信息

英文名:	Tebuconazole
中文名:	-
CAS编号:	107534-96-3
化学分子式：	C₁₆H₂₂ClN₃O
化学分子量：	307.82 g/mol
SMILES：	CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	(RS)-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1- ylmethyl)pentan-3-ol 1H-1,2,4-triazole-1-ethanol, alpha-(2-(4- chlorophenyl)ethyl)-alpha-(1,1-dimethylethyl)- alpha-(2-(4-chlorophenyl)ethyl)-alpha-(1,1-dimethylethyl)- 1H-1,2,4-triazole-1-ethanol Folicur tebuconazole

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	250mg	HPLC≥99%	360	2-8℃	现货	-
科华智慧	1.2ml	100μg/ml in methylbenzene	80	2-8℃	现货	-
科华智慧	1.2ml	1000μg/ml in methylbenzene	208	2-8℃	现货	-
科华智慧	1ml	100μg/ml in isopropanol	80	2-8℃	现货	-
科华智慧	1ml	1000μg/ml in isopropanol	208	2-8℃	现货	-
科华智慧	1.2ml	100μg/ml in methanol	64	2-8°C，避光	现货	-
科华智慧	1.2ml	1000 μg/mL in methanol	166	2-8°C，避光	现货	-
科华智慧	25g	98%	96	2-8℃	现货	-
科华智慧	100g	98%	199	2-8℃	现货	-
科华智慧	500g	98%	599	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 43 44 0 1 0 0 0 0 0999 V2000 6.3174 0.6850 0.5291 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4603 -0.6915 1.6348 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3725 1.5669 -0.2934 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3343 2.2982 -0.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8495 3.5196 0.5108 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8051 -0.8617 0.3688 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0559 -2.3697 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2824 -0.5789 0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4446 0.1482 -0.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 -2.4787 -1.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9792 -3.3342 0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4326 -2.9042 0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5967 -0.6665 -0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0354 -0.3264 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2694 2.2795 0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4586 0.9893 -0.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -1.3363 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6701 3.4830 -0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7881 1.3033 -0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -1.0224 0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6771 0.2975 0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1217 -1.2230 1.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1794 0.4238 1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0134 0.0725 -1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5184 -0.0613 -0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9459 -2.0043 -2.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0987 -3.5316 -1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1796 -2.0496 -2.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0122 -3.2018 0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -4.3737 0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8989 -3.2609 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4789 -2.9960 1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2457 -2.2431 0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6358 -3.8987 -0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2352 0.0199 -1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5896 -1.6535 -1.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0197 -1.2700 2.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1817 1.8753 0.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 1.7800 -0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5732 -2.3668 0.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 4.3467 -0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1173 2.3362 -0.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9178 -1.8165 0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 6 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 18 2 0 0 0 0 5 15 2 0 0 0 0 5 18 1 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 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 38 1 0 0 0 0 16 19 1 0 0 0 0 16 39 1 0 0 0 0 17 20 2 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol

4.2 InChl

InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3

4.3 InChlKey

PXMNMQRDXWABCY-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O

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