CAS号:74223-64-6-- - Metsulfuron-methyl-科华智慧

1. 主信息

英文名:	Metsulfuron-methyl
中文名:	-
CAS编号:	74223-64-6
化学分子式：	C₁₄H₁₅N₅O₆S
化学分子量：	381.37 g/mol
SMILES：	CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC
来源：	合成化合物
结构类型：	-
其它名称或标识：	benzoic acid, 2-(((((4-methoxy-6-methyl-1,3,5-triazin-2- yl)methylamino)carbonyl)amino)sulfonyl)-, methyl ester methyl 2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate metsulfuron methyl metsulfuron-methyl triazine-2-14C metsulfuron-methyl

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	48	2-8℃	现货	-
科华智慧	1ml	1000μg/ml in methanol	208	2-8℃	现货	-
科华智慧	1.2ml	100μg/ml in acetone	38	-20℃，避光	现货	-
科华智慧	1.2ml	1000μg/ml in acetone	166	-20℃，避光	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 0 0 0 0 0 0999 V2000 2.3898 0.0007 1.8155 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1844 -1.0370 2.8151 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 1.0455 2.0501 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9728 2.0071 -1.1087 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1858 2.1086 -0.4832 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -1.1876 0.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5340 -2.2250 -0.4893 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8827 0.7322 1.4564 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 0.9103 0.7485 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4539 1.6405 0.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9123 -0.6969 0.1338 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1021 0.0175 -0.5383 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7846 -0.7585 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 -0.0011 -0.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7479 -2.1504 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 -0.6355 -2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 -2.7849 -0.9993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4034 -2.0274 -2.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1798 1.4543 -0.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2964 0.0342 1.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6362 0.6012 0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6743 1.2717 -0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1676 -0.9143 -0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8943 3.4365 -1.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6543 2.3665 -0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5434 -3.2082 -0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4798 -2.7684 1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8619 1.7596 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.0565 -2.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -3.8686 -1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 -2.5214 -3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 1.9029 0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6179 2.1274 -0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7997 2.4925 -1.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3041 3.3161 -0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5861 3.8577 -1.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 3.8178 -0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8743 3.7230 -1.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9808 -4.1903 -0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6782 -3.0828 -0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2374 -3.1876 0.8255 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 8 1 0 0 0 0 1 13 1 0 0 0 0 4 19 1 0 0 0 0 4 24 1 0 0 0 0 5 19 2 0 0 0 0 6 20 2 0 0 0 0 7 23 1 0 0 0 0 7 26 1 0 0 0 0 8 20 1 0 0 0 0 8 28 1 0 0 0 0 9 20 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 2 0 0 0 0 11 21 2 0 0 0 0 11 23 1 0 0 0 0 12 22 1 0 0 0 0 12 23 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 22 25 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 33 1 0 0 0 0 25 34 1 0 0 0 0 25 35 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate

4.2 InChl

InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)

4.3 InChlKey

RSMUVYRMZCOLBH-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)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