CAS号:113906-27-7-PNU-74654 - N-[(E)-(5-Methylfuran-2-yl)methylideneamino]-2-phenoxybenzamide-科华智慧

1. 主信息

英文名:	N-[(E)-(5-Methylfuran-2-yl)methylideneamino]-2-phenoxybenzamide
中文名:	PNU-74654
CAS编号:	113906-27-7
化学分子式：	C₁₉H₁₆N₂O₃
化学分子量：	320.3 g/mol
SMILES：	CC1=CC=C(O1)C=NNC(=O)C2=CC=CC=C2OC3=CC=CC=C3
来源：	合成化合物
结构类型：	-
其它名称或标识：	N'-((E)-(5-methylfuran-2-yl)methylidene)-2-phenoxybenzohydrazide N-((5-methyl-2-furanyl)methylideneamino)-2-phenoxybenzamide PNU-74654

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	99%	376	-20℃	现货	-
科华智慧	10mg	99%	536	-20℃	现货	-
科华智慧	25mg	99%	928	-20℃	现货	-
科华智慧	50mg	99%	1360	-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 40 42 0 0 0 0 0 0 0999 V2000 -2.7992 0.0866 -1.0845 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4887 -0.0334 0.8481 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2328 -0.0705 -1.7687 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0788 -0.9488 -0.0752 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1701 -0.2532 -0.4740 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2607 -1.5719 -0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 -1.0988 -0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 -2.7875 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6415 -1.8412 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4503 1.0749 -0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1192 -0.8128 -0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1189 -3.5299 0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4201 -3.0567 0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4929 0.2383 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5405 0.6945 0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 1.0939 -0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1838 1.4052 -0.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0576 1.3338 0.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4784 1.7789 -0.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2104 -0.4341 0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7922 0.5793 1.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7146 2.3292 1.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1352 2.7743 -0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7533 3.0494 1.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0444 -3.2050 0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6627 -1.4936 -0.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9476 -4.4798 1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2609 -3.6367 1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 1.4666 -1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8211 2.0656 -1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2399 0.8012 1.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7771 1.5655 -1.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1684 -1.5133 0.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1943 -1.1013 1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5806 1.1983 0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6438 0.9036 2.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1416 -0.4576 1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4146 2.5467 2.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9440 3.3353 -0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2641 3.8253 1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 11 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 33 1 0 0 0 0 5 20 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 8 12 1 0 0 0 0 8 25 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 0 0 0 0 10 18 2 0 0 0 0 10 19 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 22 1 0 0 0 0 18 31 1 0 0 0 0 19 23 2 0 0 0 0 19 32 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenoxybenzamide

4.2 InChl

InChI=1S/C19H16N2O3/c1-14-11-12-16(23-14)13-20-21-19(22)17-9-5-6-10-18(17)24-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,22)/b20-13+

4.3 InChlKey

JJEDWBQZCRESJL-DEDYPNTBSA-N

4.4 Canonical SMILES

CC1=CC=C(O1)C=NNC(=O)C2=CC=CC=C2OC3=CC=CC=C3

4.5 lsomeric SMILES

CC1=CC=C(O1)/C=N/NC(=O)C2=CC=CC=C2OC3=CC=CC=C3

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