CAS号:95737-68-1-- - Pyriproxyfen-科华智慧

1. 主信息

英文名:	Pyriproxyfen
中文名:	-
CAS编号:	95737-68-1
化学分子式：	C₂₀H₁₉NO₃
化学分子量：	321.4 g/mol
SMILES：	CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3
来源：	合成化合物
结构类型：	-
其它名称或标识：	(+--)-pyriproxyfen 2-(1-methyl-2-(4-phenoxyphenoxy)ethoxy)pyridine 4-phenoxyphenyl (RS)-2-(2-pyridyloxy)propyl ether juvinal pyridine, 2-(1-methyl-2-(4-phenoxyphenoxy)ethoxy)-

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≥98%	320	2-8℃	现货	-
科华智慧	1.2ml	100μg/ml in methylbenzene	104	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 methanol	83	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 43 45 0 1 0 0 0 0 0999 V2000 -1.2555 -0.7849 -1.1752 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 -0.3605 0.7282 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 0.8636 -1.1793 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3745 -0.4419 -0.1503 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0647 -1.6506 0.1411 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6030 -1.8143 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4897 -2.7073 1.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0515 -0.3757 -1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -1.2759 -0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3618 0.9367 -1.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7055 0.4563 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4449 0.2410 0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -0.8587 -0.8396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6928 1.3539 -1.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8466 0.5396 -0.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6597 1.4959 1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4151 0.6693 1.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 0.0817 -0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9047 2.0862 0.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5724 0.1634 -0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8848 1.4137 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 0.3385 2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9915 -0.2492 0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5633 -0.1207 1.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6405 -1.7535 -0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9989 -1.7399 0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 -2.7918 -0.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5468 -2.6009 1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3363 -3.7159 0.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9228 -2.6092 2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -2.3155 -0.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4239 1.6391 -1.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1602 -1.5823 -0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9347 2.3796 -1.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8847 2.0076 1.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4225 1.0415 1.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4696 -0.0204 -1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1106 3.0682 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3020 -0.4024 -0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8623 1.8545 0.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9432 0.4422 3.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9946 -0.6066 0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2332 -0.3774 2.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 4 12 1 0 0 0 0 4 20 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 14 2 0 0 0 0 10 32 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 16 2 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 35 1 0 0 0 0 17 22 1 0 0 0 0 17 36 1 0 0 0 0 18 23 2 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine

4.2 InChl

InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3

4.3 InChlKey

NHDHVHZZCFYRSB-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3

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