CAS号:305339-41-7-BZAD01 - 4-Trifluoromethoxy-N-(2-trifluoromethyl-benzyl)-benzamidine-科华智慧

1. 主信息

英文名:	4-Trifluoromethoxy-N-(2-trifluoromethyl-benzyl)-benzamidine
中文名:	BZAD01
CAS编号:	305339-41-7
化学分子式：	C₁₆H₁₂F₆N₂O
化学分子量：	362.27 g/mol
SMILES：	C1=CC=C(C(=C1)CN=C(C2=CC=C(C=C2)OC(F)(F)F)N)C(F)(F)F
来源：	合成化合物
结构类型：	-
其它名称或标识：	4-(trifluoromethoxy)-N-(2-trifluoromethylbenzyl)benzamidine 4-trifluoromethoxy-N-(2-trifluoromethylbenzyl)benzamidine BZAD-01 BZAD01

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	98%	800	-20℃	现货	-
科华智慧	10mg	98%	1280	-20℃	现货	-
科华智慧	25mg	98%	2240	-20℃	现货	-
科华智慧	100mg	98%	6720	-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 37 38 0 0 0 0 0 0 0999 V2000 -3.8395 -1.6683 -1.7723 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3755 -2.7893 0.0054 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3703 -1.9729 -0.1982 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 -1.2990 -0.4963 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8322 -1.1721 1.2667 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7547 0.5135 -0.1219 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9576 0.0850 1.2264 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1086 0.6994 -0.4739 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0816 1.0404 -2.6061 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5229 0.7942 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1172 -0.4236 0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4224 0.8719 -1.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9342 1.9641 0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1369 -0.4725 1.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 0.6051 -0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6866 -1.6885 -0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0322 0.7868 -1.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9538 1.9152 1.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5551 0.6968 1.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3804 -0.2230 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3866 1.2582 -1.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7462 0.2553 0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6221 -0.3980 1.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6284 1.0834 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0190 -0.4620 0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5791 0.1520 -1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 1.8592 -1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4723 2.9192 0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6193 -1.4105 1.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2790 2.8255 2.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3488 0.6589 2.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5224 -0.7510 0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 1.9260 -1.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7085 -1.0461 2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4938 1.6068 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9595 1.1798 -3.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7531 1.0445 -3.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 4 25 1 0 0 0 0 5 25 1 0 0 0 0 6 25 1 0 0 0 0 7 22 1 0 0 0 0 7 25 1 0 0 0 0 8 12 1 0 0 0 0 8 17 2 0 0 0 0 9 17 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 18 1 0 0 0 0 13 28 1 0 0 0 0 14 19 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 23 1 0 0 0 0 20 32 1 0 0 0 0 21 24 2 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

4-(trifluoromethoxy)-N'-[[2-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide

4.2 InChl

InChI=1S/C16H12F6N2O/c17-15(18,19)13-4-2-1-3-11(13)9-24-14(23)10-5-7-12(8-6-10)25-16(20,21)22/h1-8H,9H2,(H2,23,24)

4.3 InChlKey

YGOCAMFQDLFNQK-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C(C(=C1)CN=C(C2=CC=C(C=C2)OC(F)(F)F)N)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