CAS号:83055-99-6-- - Bensulfuron-methyl-科华智慧

1. 主信息

英文名:	Bensulfuron-methyl
中文名:	-
CAS编号:	83055-99-6
化学分子式：	C₁₆H₁₈N₄O₇S
化学分子量：	410.4 g/mol
SMILES：	COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC
来源：	合成化合物
结构类型：	-
其它名称或标识：	2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)benzoic acid methyl ester bensulfuron methyl bensulphuron-methyl Londax methyl bensulfuron

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	1ml	100μg/ml in methanol	80	-20℃	现货	-
科华智慧	1ml	1000μg/ml in methanol	208	-20℃	现货	-
科华智慧	100mg	97%	1024	-20℃	现货	-
科华智慧	1.2ml	100μg/ml in acetonitrile	64	-20℃，避光	现货	-
科华智慧	1.2ml	1000μg/ml in acetonitrile	166	-20℃，避光	现货	-
科华智慧	5g	≥98%(HPLC)	512	-20℃	现货	-
科华智慧	25g	≥98%(HPLC)	1075	-20℃	现货	-
科华智慧	100g	≥98%(HPLC)	2634	-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 46 47 0 0 0 0 0 0 0999 V2000 1.7649 1.5802 0.9026 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 0.5363 1.8661 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 2.8917 1.0206 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6438 -2.0069 1.3166 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4344 -2.1231 -0.6386 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4959 -0.4310 0.2605 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7830 1.1608 -0.2304 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2604 -2.8309 -0.6468 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0769 1.7728 0.7295 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1528 1.2113 0.3547 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4830 1.2000 0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2006 -0.8291 -0.1489 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 0.9556 -0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6346 0.7164 -0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1783 -0.5150 -0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4707 1.7502 -1.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5579 -0.7128 -0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8503 1.5524 -1.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3939 0.3211 -0.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3284 -1.6116 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 0.7272 0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3378 0.4915 0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5933 0.4826 -0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3504 -1.4844 -0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5876 -0.8750 -0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8761 -3.0829 1.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7292 2.5582 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9601 -3.4057 -0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 1.7203 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5762 0.0640 -0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 2.7150 -1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 2.7373 0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9964 -1.6679 -0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5013 2.3570 -1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4679 0.1669 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2904 2.2047 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4948 -1.4260 -0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8189 -2.8053 1.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0115 -3.9874 1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2365 -3.2749 2.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3463 2.7540 1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1271 3.0765 -0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7490 2.9506 -0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3049 -2.9709 -1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 -3.2931 0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0555 -4.4756 -0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 4 20 1 0 0 0 0 4 26 1 0 0 0 0 5 20 2 0 0 0 0 6 21 2 0 0 0 0 7 23 1 0 0 0 0 7 27 1 0 0 0 0 8 24 1 0 0 0 0 8 28 1 0 0 0 0 9 21 1 0 0 0 0 9 32 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 36 1 0 0 0 0 11 22 1 0 0 0 0 11 23 2 0 0 0 0 12 22 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate

4.2 InChl

InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)

4.3 InChlKey

XMQFTWRPUQYINF-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC

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