CAS号:3168-01-2-HYDROXYHEXAMIDE - Hydroxyhexamide-科华智慧

1. 主信息

英文名:	Hydroxyhexamide
中文名:	HYDROXYHEXAMIDE
CAS编号:	3168-01-2
化学分子式：	C₁₅H₂₂N₂O₄S
化学分子量：	326.4 g/mol
SMILES：	CC(C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	hydroxyhexamide hydroxyhexamide, (+-)-isomer hydroxyhexamide, (S)-isomer N-((cyclohexylamino)carbonyl)-4-(1-hydroxyethyl)benzenesulfonamide

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	2mg	98%	800	-20℃	现货	-
科华智慧	5mg	98%	1280	-20℃	现货	-
科华智慧	10mg	98%	1760	-20℃	现货	-
科华智慧	25mg	98%	2880	-20℃	现货	-
科华智慧	50mg	98%	4640	-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 44 45 0 1 0 0 0 0 0999 V2000 0.6464 -2.5695 -0.2017 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2962 -1.0541 1.6895 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -3.1334 1.1342 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9631 -3.4009 -1.3469 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6916 1.7040 0.5531 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7569 -0.5158 -0.0193 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8262 -1.7504 -0.4899 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7132 0.2102 0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3259 1.6882 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1337 0.0500 0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5389 2.4533 -0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3436 0.8177 -1.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9623 2.2878 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -1.0929 0.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 -1.2228 -0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5841 0.8859 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3816 -0.8510 -1.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0757 -0.5647 0.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 2.0224 -0.2512 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2854 0.2115 -1.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9793 0.4978 0.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9367 3.3267 0.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6888 -0.2273 1.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2796 1.7891 1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9362 2.1548 1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8497 0.4197 0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3621 -1.0104 0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8272 2.1000 -1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3283 3.5169 -0.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3947 0.7415 -1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7536 0.3623 -1.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6621 2.7798 -0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0598 2.7909 -1.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8993 -0.5677 -1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1885 -1.7695 -1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1565 -1.3573 -2.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6142 -0.8507 1.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9192 2.1942 -1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7466 0.5030 -2.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2051 1.0047 1.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6845 3.2652 1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 3.5943 -0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6586 4.1454 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3046 2.4573 0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 2 14 2 0 0 0 0 5 19 1 0 0 0 0 5 44 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 34 1 0 0 0 0 7 14 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 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 20 2 0 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 21 2 0 0 0 0 18 37 1 0 0 0 0 19 22 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea

4.2 InChl

InChI=1S/C15H22N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-11,13,18H,2-6H2,1H3,(H2,16,17,19)

4.3 InChlKey

VQDAEOYLIBGCHE-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2)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