CAS号:147403-03-0-阿齐沙坦 - Azilsartan-科华智慧

1. 主信息

英文名:	Azilsartan
中文名:	阿齐沙坦
CAS编号:	147403-03-0
化学分子式：	C₂₅H₂₀N₄O₅
化学分子量：	456.4 g/mol
SMILES：	CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	2-ethoxy-1-((2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-biphenyl-4-yl)methyl)-1H-benzimidazole-7-carboxylic acid azilsartan TAK-536

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%	128	2-8℃	现货	-
科华智慧	1g	≥98%	88	2-8℃	现货	-
科华智慧	5g	≥98%	336	2-8℃	现货	-
科华智慧	25g	≥98%	1280	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 54 58 0 0 0 0 0 0 0999 V2000 -1.2561 1.7423 1.6084 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9791 -2.7863 0.8396 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5633 -3.1802 -0.8944 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3179 2.3130 -1.6969 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 4.1086 -0.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 0.0629 0.7104 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0432 2.1842 0.1672 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0247 1.9457 -0.3427 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6011 0.9177 -1.6723 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0222 -1.0705 1.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 0.0366 -0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -1.1830 1.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9641 1.3725 -0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2789 1.3671 0.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5299 -1.0092 -0.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -1.3914 0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1472 -1.6949 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3997 -0.7752 1.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0232 1.7032 -1.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5733 -1.4991 0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2114 -1.7989 -0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7581 -0.8794 1.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5797 -0.6620 -1.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8237 0.6696 -1.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2600 -0.4535 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2951 -2.3991 -0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2454 -2.6760 0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9427 3.1499 1.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6186 -0.5850 -0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5956 0.7933 -0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6041 -2.8073 0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2908 -1.7618 -0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2444 3.3394 2.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2271 2.9067 -0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 -2.0136 1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1643 -0.9357 2.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8797 -2.0143 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0997 -0.3784 2.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2209 2.7346 -1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5104 -2.2001 -1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4877 -0.5564 2.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2241 -1.4364 -1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6471 0.9083 -2.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7269 -3.5019 0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7013 3.5244 0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8093 3.6934 2.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1683 0.2182 -1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1275 -3.7236 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3485 -1.8646 -0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 2.7880 2.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5079 4.3971 2.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0251 2.9456 3.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7874 2.0823 0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8098 -3.7265 1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 28 1 0 0 0 0 2 26 1 0 0 0 0 2 54 1 0 0 0 0 3 26 2 0 0 0 0 4 9 1 0 0 0 0 4 34 1 0 0 0 0 5 34 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 13 1 0 0 0 0 7 14 2 0 0 0 0 8 30 1 0 0 0 0 8 34 1 0 0 0 0 8 53 1 0 0 0 0 9 30 2 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 15 23 1 0 0 0 0 15 26 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 21 1 0 0 0 0 17 37 1 0 0 0 0 18 22 2 0 0 0 0 18 38 1 0 0 0 0 19 24 1 0 0 0 0 19 39 1 0 0 0 0 20 25 1 0 0 0 0 20 27 2 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 27 31 1 0 0 0 0 27 44 1 0 0 0 0 28 33 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 32 1 0 0 0 0 29 47 1 0 0 0 0 31 32 2 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2-ethoxy-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid

4.2 InChl

InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)

4.3 InChlKey

KGSXMPPBFPAXLY-UHFFFAOYSA-N

4.4 Canonical SMILES

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O

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