CAS号:23434-88-0-四氢胡椒碱 - Tetrahydropiperine-科华智慧

1. 主信息

英文名:	Tetrahydropiperine
中文名:	四氢胡椒碱
CAS编号:	23434-88-0
化学分子式：	C₁₇H₂₃NO₃
化学分子量：	289.4 g/mol
SMILES：	C1CCN(CC1)C(=O)CCCCC2=CC3=C(C=C2)OCO3
来源：	-
结构类型：	-
其它名称或标识：	-

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	20mg	HPLC≥98%	96	点击购买	2-8℃	现货	-
科华智慧	100mg	97%	176	点击购买	2-8℃	现货	-
科华智慧	250mg	97%	264	点击购买	2-8℃	现货	-
科华智慧	1g	97%	656	点击购买	2-8℃	现货	-
科华智慧	5g	97%	2560	点击购买	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 44 46 0 0 0 0 0 0 0999 V2000 -3.5120 -1.8846 -0.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4796 1.3530 -1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5075 0.7494 0.7435 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6482 -0.1727 0.2745 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9188 1.6087 0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5192 2.1292 0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8465 0.3213 -0.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6662 1.0512 1.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9698 -0.7220 -0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5012 -0.8355 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1793 -0.2045 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0285 -1.0375 -0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3423 -0.4781 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4721 -1.3850 -0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8278 -0.8283 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4632 0.0266 -0.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4141 -1.1860 1.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 0.5104 -0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2894 0.1657 0.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6698 -0.6819 1.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6214 1.5005 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4638 1.4189 1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4804 2.3704 -0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5904 3.0048 1.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0335 2.4553 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4327 0.5490 -1.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8541 -0.0803 -0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6637 1.4437 1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0854 0.7837 2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4225 -1.0400 0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8844 -1.6087 -0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1024 -0.1391 1.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1346 0.8034 -0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0924 -1.0968 -1.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -2.0661 0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4567 0.5303 -0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3984 -0.3772 1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 -1.5157 -1.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3647 -2.3901 -0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0115 0.3077 -1.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 -1.8545 1.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1356 -0.9508 2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5161 1.1637 -1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7386 2.5617 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 19 1 0 0 0 0 3 21 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 17 20 2 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpentan-1-one

4.2 InChl

InChI=1S/C17H23NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h8-9,12H,1-7,10-11,13H2

4.3 InChlKey

APZYKUZPJCQGPP-UHFFFAOYSA-N

4.4 Canonical SMILES

C1CCN(CC1)C(=O)CCCCC2=CC3=C(C=C2)OCO3

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 7.87926 1.69098 0 0
M  V30 2 C 7.01323 1.19098 0 0
M  V30 3 C 6.14721 1.69098 0 0
M  V30 4 N 6.14721 2.69098 0 0
M  V30 5 C 7.01323 3.19098 0 0
M  V30 6 C 7.87926 2.69098 0 0
M  V30 7 C 5.28118 3.19098 0 0
M  V30 8 O 5.28118 4.19098 0 0
M  V30 9 C 4.41516 2.69098 0 0
M  V30 10 C 4.41516 1.69098 0 0
M  V30 11 C 3.54913 1.19098 0 0
M  V30 12 C 3.54913 0.190983 0 0
M  V30 13 C 2.68311 -0.309017 0 0
M  V30 14 C 1.81708 0.190983 0 0
M  V30 15 C 0.951057 -0.309017 0 0
M  V30 16 C 0.951057 -1.30902 0 0
M  V30 17 C 1.81708 -1.80902 0 0
M  V30 18 C 2.68311 -1.30902 0 0
M  V30 19 O -1.11022e-15 -1.61803 0 0
M  V30 20 C -0.587785 -0.809017 0 0
M  V30 21 O 0 -0 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 1 1 2
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 4 7
M  V30 7 1 5 6
M  V30 8 2 7 8
M  V30 9 1 7 9
M  V30 10 1 9 10
M  V30 11 1 10 11
M  V30 12 1 11 12
M  V30 13 1 12 13
M  V30 14 1 13 18
M  V30 15 2 13 14
M  V30 16 1 14 15
M  V30 17 1 15 21
M  V30 18 2 15 16
M  V30 19 1 16 17
M  V30 20 1 16 19
M  V30 21 2 17 18
M  V30 22 1 19 20
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END

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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