CAS号:116714-46-6-双苯氟脲 - Novaluron-科华智慧

1. 主信息

英文名:	Novaluron
中文名:	双苯氟脲
CAS编号:	116714-46-6
化学分子式：	C₆H₃F₂C(O)NHC(O)NHC₆H₃ClOCF₂CFHOCF₃
化学分子量：	492.7 g/mol
SMILES：	C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)F
来源：	合成化合物
结构类型：	-
其它名称或标识：	1-(3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl)-3-(2,6-difluorobenzoyl)urea novaluron Rimon EC-10

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	1000μg/ml in methanol	464	2-8℃	现货	-
科华智慧	1.2ml	100μg/ml in methanol	184	2-8℃	现货	-
科华智慧	50mg	HPLC≥98%	640	2-8℃	现货	-
科华智慧	1g	98%	192	2-8℃	现货	-
科华智慧	5g	98%	403	2-8℃	现货	-
科华智慧	25g	98%	1152	2-8℃	现货	-
科华智慧	100g	98%	2240	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 41 42 0 1 0 0 0 0 0999 V2000 -2.7433 -3.0825 -0.0687 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6644 1.6389 -1.0951 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0047 0.7534 0.8093 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.8837 -1.2175 0.5443 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4979 -1.8992 -0.4506 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2023 2.3407 0.8455 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.0459 -0.7315 1.5465 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.6859 0.2455 -0.3061 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.7318 1.3600 1.5785 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8112 -0.4676 -1.1047 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7263 0.8718 0.6138 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3412 1.6328 -0.9066 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 2.0439 -0.6445 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6786 -0.5347 -0.2734 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 0.0907 -0.1549 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -0.5061 -0.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2987 -0.5255 -0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5871 0.4870 -0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8347 -1.6572 -0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7059 0.6353 -1.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4553 -1.6670 -0.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3265 0.6257 -0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9808 -0.0592 -0.1619 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3183 0.2368 0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6039 0.5085 -0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0541 0.8798 -0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4785 -1.1434 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3453 1.0131 0.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6656 -1.7472 0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5325 0.4093 1.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6928 -0.9709 1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0501 0.4361 0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1773 1.5367 -1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.5641 0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1882 1.5464 -1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4798 -0.2682 -1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0639 -1.4083 0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9968 -0.8545 0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7900 -2.8217 0.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3320 1.0139 1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6172 -1.4410 1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 4 23 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 32 1 0 0 0 0 8 32 1 0 0 0 0 9 32 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 11 23 1 0 0 0 0 11 32 1 0 0 0 0 12 25 2 0 0 0 0 13 26 2 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 14 37 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 38 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 29 39 1 0 0 0 0 30 31 1 0 0 0 0 30 40 1 0 0 0 0 31 41 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

N-[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide

4.2 InChl

InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)

4.3 InChlKey

NJPPVKZQTLUDBO-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)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