CAS号:128-62-1-诺司卡品 - Noscapine-科华智慧

1. 主信息

英文名:	Noscapine
中文名:	诺司卡品
CAS编号:	128-62-1
化学分子式：	C₂₂H₂₃NO₇
化学分子量：	413.4 g/mol
SMILES：	CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
来源：	合成化合物
结构类型：	-
其它名称或标识：	Capval Capval Tropfen Embonate, Noscapine Hydrogen Hydrochloride, Noscapine Hydrogen Embonate, Noscapine

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	20mg	98%	456	-20℃	现货	-
科华智慧	100mg	97%	307	-20℃	现货	-
科华智慧	500mg	97%	1024	-20℃	现货	-
科华智慧	1g	97%	1792	-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 53 57 0 1 0 0 0 0 0999 V2000 -0.2416 1.0905 0.6571 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6508 1.6766 -0.8596 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3639 2.2277 -0.2418 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9068 0.5614 0.5622 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4068 1.9303 0.0072 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6598 2.8908 0.3626 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8744 -0.4304 -0.1062 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2816 -2.4085 -0.5024 N 0 0 2 0 0 0 0 0 0 0 0 0 0.5568 -0.9597 -0.3862 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3392 -0.3583 0.7087 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0145 -0.6077 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9669 -3.1813 0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9245 -1.5844 0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4878 -3.0152 0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7859 -0.5862 0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4558 0.7098 -0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5688 -2.9168 -1.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4314 0.6260 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2642 -1.2428 0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7765 1.0099 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6558 0.0604 0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4523 1.6969 0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5024 -1.7689 0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7952 0.7277 0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8838 -1.7004 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5258 -0.4596 0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7143 1.9362 0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 2.2825 -2.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4207 2.2643 0.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3298 -0.4708 -1.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2742 -0.4883 -1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0403 -0.6619 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7122 -4.2450 0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5806 -2.8791 1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9201 -3.6113 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8891 -3.4058 1.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0682 -2.4170 -2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3346 -3.9853 -1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6118 -2.7742 -2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9749 -1.9837 0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0376 -2.7365 0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4633 -2.6197 0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9685 2.5813 1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3924 2.1635 -0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6277 1.5905 -2.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6438 3.1848 -1.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1583 2.5785 -2.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3938 3.3471 1.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 1.7769 1.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4056 2.0017 0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4223 -0.4272 -1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0188 -1.4032 -1.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9486 0.3878 -2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 22 1 0 0 0 0 2 16 1 0 0 0 0 2 28 1 0 0 0 0 3 20 1 0 0 0 0 3 27 1 0 0 0 0 4 21 1 0 0 0 0 4 27 1 0 0 0 0 5 24 1 0 0 0 0 5 29 1 0 0 0 0 6 22 2 0 0 0 0 7 26 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 10 15 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 18 2 0 0 0 0 15 23 1 0 0 0 0 16 20 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 22 1 0 0 0 0 18 24 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one

4.2 InChl

InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1

4.3 InChlKey

AKNNEGZIBPJZJG-MSOLQXFVSA-N

4.4 Canonical SMILES

CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3

4.5 lsomeric SMILES

CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3

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
蚕沙	Bombyx Mori L.	-
沉香	Oily wood of Agalloch Eaglewood	Lignum Aquilariae Resitum
丽春花	Corn Poppy	Papaver commutatum [Syn. Papaver rhoeas ]
四季青	Purpleflower Holly Leaf	Folium Llicis Chinensis
鸦片	Opium	Papaver somniferum
罂粟	Opium Poppy	Papaver somniferum
罂粟壳	poppy capsule	pericarpium papaveris

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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