CAS号:175013-18-0-- - Pyraclostrobin-科华智慧

1. 主信息

英文名:	Pyraclostrobin
中文名:	-
CAS编号:	175013-18-0
化学分子式：	C₁₉H₁₈ClN₃O₄
化学分子量：	387.8 g/mol
SMILES：	COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC
来源：	合成化合物
结构类型：	-
其它名称或标识：	BAS-500F F 500 F-500 methyl 2-(1-(4-chlorophenyl)pyrazol-3-yloxymethyl)-N-methoxycarbanilate methyl N-(2-(1-(4-chlorophenyl)-1H-pyrazol-3-yloxymethyl)phenyl)-(N-methoxy)carbamate

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	100mg	HPLC≥99%	480	2-8℃	现货	-
科华智慧	1.2ml	1000μg/ml in methylbenzene	208	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 methanol	208	2-8℃	现货	-
科华智慧	1.2ml	100μg/ml in n-hexane	80	2-8℃	现货	-
科华智慧	1.2ml	100μg/ml in methanol	64	-20℃，避光	现货	-
科华智慧	1.2ml	1000μg/ml in methanol	166	-20℃，避光	现货	-
科华智慧	5g	≥98%	390	2-8℃	现货	-
科华智慧	25g	≥98%	1171	2-8℃	现货	-
科华智慧	100g	≥98%	2800	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 45 47 0 0 0 0 0 0 0999 V2000 8.2915 -0.5917 -1.3721 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3936 1.0695 0.1678 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9289 -1.2908 0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7134 -3.0462 0.1204 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4583 -1.5995 -0.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8376 0.2497 0.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2601 -0.8090 -0.0851 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8457 0.6214 -0.1309 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7231 1.5245 0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5637 0.5766 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4874 1.1522 1.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0364 2.8751 0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7053 0.9237 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8171 0.7018 0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1268 0.0498 0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1843 3.2499 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0187 2.2743 -1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4465 0.1016 1.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1055 0.3975 2.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1396 -0.3348 1.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3853 0.2386 -1.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2474 -1.7888 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4306 -0.5337 0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.0396 -1.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6988 -0.3465 -0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 -1.5764 -1.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6490 -4.1283 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2757 1.9476 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6232 0.2465 1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 3.6474 0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3491 0.2135 -1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4258 4.3016 -0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9032 2.5675 -1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0941 -0.1902 2.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4669 0.3844 2.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9954 -0.4962 2.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6182 0.5390 -1.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2184 -0.8345 1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8712 0.1890 -2.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0251 -2.3544 -1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4211 -0.6716 -1.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4046 -1.9380 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2309 -4.1902 -0.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3063 -4.0001 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0846 -5.0565 0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 7 1 0 0 0 0 3 26 1 0 0 0 0 4 22 1 0 0 0 0 4 27 1 0 0 0 0 5 22 2 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 16 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 14 19 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 32 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 20 23 1 0 0 0 0 20 36 1 0 0 0 0 21 24 2 0 0 0 0 21 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate

4.2 InChl

InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3

4.3 InChlKey

HZRSNVGNWUDEFX-UHFFFAOYSA-N

4.4 Canonical SMILES

COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)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