CAS号:161326-34-7-咪唑菌酮 - Fenamidone-科华智慧

1. 主信息

英文名:	Fenamidone
中文名:	咪唑菌酮
CAS编号:	161326-34-7
化学分子式：	C₁₇H₁₇N₃OS
化学分子量：	311.4 g/mol
SMILES：	CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3
来源：	合成化合物
结构类型：	-
其它名称或标识：	(S)-1-anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one 1-anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one fenamidone

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	1.2ml	1000μg/ml in methylbenzene	312	2-8℃	现货	-
科华智慧	1.2ml	100μg/ml in methylbenzene	104	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 39 41 0 1 0 0 0 0 0999 V2000 1.1428 2.8263 -1.3301 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1924 -0.4146 2.2293 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6775 1.0772 0.6574 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1499 1.8402 -0.3794 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9979 0.9148 0.9217 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6038 0.8925 0.7000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2959 0.4023 1.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3978 -0.2735 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 1.7482 1.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1435 1.8642 -0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8151 -1.3115 0.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7055 -0.2995 -1.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6936 -0.1507 0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5418 -2.3781 0.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4323 -1.3662 -1.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8504 -2.4055 -0.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0177 -0.4185 0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0736 -0.9607 -0.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0138 4.1969 -1.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -1.4798 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -2.0222 -1.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0858 -2.2817 -0.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7108 2.5694 2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6381 1.1538 2.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 2.1893 1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6012 -1.3050 2.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4041 0.4898 -1.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4187 1.4855 1.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8707 -3.1856 1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 -1.3875 -2.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4172 -3.2355 -1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5175 0.1987 1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -0.7990 -0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 4.9583 -2.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 4.6516 -0.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8542 3.8564 -2.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 -1.6819 0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -2.6464 -1.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6258 -3.1080 -1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 2 7 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 10 2 0 0 0 0 5 13 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 11 14 1 0 0 0 0 11 26 1 0 0 0 0 12 15 2 0 0 0 0 12 27 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenylimidazol-4-one

4.2 InChl

InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1

4.3 InChlKey

LMVPQMGRYSRMIW-KRWDZBQOSA-N

4.4 Canonical SMILES

CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3

4.5 lsomeric SMILES

C[C@@]1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=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