东莨菪碱
Atroscine
138-12-5
C17H21NO4
303.35294
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:东莨菪碱结构式 名称和标识符
MDL | MFCD05662373 |
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InChIKey | STECJAGHUSJQJN-UHFFFAOYSA-N |
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Inchi | InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3 |
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SMILES | OCC(C1C=CC=CC=1)C(OC1CC2N(C)C(C3C2O3)C1)=O |
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别名信息
- 中文别名 -
- (-)-莨菪碱
- (±)-东莨菪碱
- )-东莨菪碱
- (-)-东莨菪碱
- 英文别名 -
- (1R,2R,4S,5R)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 3-hydroxy-2-phenylpropanoate
- (-)-Scopolamine
- HYOSCINE, EP STANDARD
- HYOSCINE
- Scopoderm TTS
- scopolamine
- (1alpha,2beta,4beta,5alpha,7beta)-alpha-(Hydroxymethyl)-benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl ester
- Atroscine
- Azatricyclo [3.3.1.02,4] non-7-yl ester
- Benzeneaceticacid,α-(hydroxymethyl)-,(1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-
- STECJAGHUSJQJN-SDODBCEQSA-N
- (1R,2R,4S,5S,7R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0,2,4]nonan-7-yl 3-hydroxy-2-phenylpropanoate
- FS-9601
- 51-34-3
- Scopolaminhydrobromid
- W-105903
- DTXSID8043812
- SCHEMBL6840787
- scopalamine
- EN300-28336725
- 138-12-5
- [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate
- SCHEMBL24175406
- STECJAGHUSJQJN-QBMZJCKTSA-N
- (+/-)-Scopolamine
- AKOS015955512
- Benzeneacetic acid, alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2,4))non-7-yl ester, (1alpha,2beta,4beta,5alpha,7beta)-(+-)-
物化性质
实验特性
LogP | 0.85600 |
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PSA | 62.30000 |
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溶解度 | 微溶 (1.8 g/L) (25 ºC), |
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颜色与性状 | Powder |
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密度 | 1.31±0.1 g/cm3 (20 ºC 760 Torr), |
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计算特性
精确分子量 | 303.14700 |
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氢键供体数量 | 1 |
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氢键受体数量 | 5 |
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可旋转化学键数量 | 5 |
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同位素质量 | 303.14705815g/mol |
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重原子数量 | 22 |
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复杂度 | 418 |
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同位素原子数量 | 0 |
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确定原子立构中心数量 | 4 |
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不确定原子立构中心数量 | 1 |
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确定化学键立构中心数量 | 0 |
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不确定化学键立构中心数量 | 0 |
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共价键单元数量 | 1 |
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疏水参数计算参考值(XlogP) | 0.9 |
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拓扑分子极性表面积 | 62.3Ų |
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相关文献
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Jie Zuo,Xingyuan Zhang,Xinyu Li,Zhiwei Li,Zongren Li,Honghong Li,Wencheng Zhang RSC Adv. 2019 9 19712 - 2. Wheatgrass extract imparts neuroprotective actions against scopolamine-induced amnesia in mice
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Kelly Brown,Charlotte Jacquet,Julien Biscay,Pamela Allan,Lynn Dennany Analyst 2020 145 4295 - 4. Experimental evidence for the potential of lycopene in the management of scopolamine induced amnesia
Rajni Bala,Deepa Khanna,Sidharth Mehan,Sanjeev Kalra RSC Adv. 2015 5 72881 - 5. Safflower (Carthamus tinctorius L.) seed attenuates memory impairment induced by scopolamine in mice via regulation of cholinergic dysfunction and oxidative stress
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Yue Zhao,Yifei Dong,Qi Ge,Pengbo Cui,Na Sun,Songyi Lin Food Funct. 2021 12 7676 - 7. Tropane alkaloid biosynthesis: a centennial review
Jian-Ping Huang,Yong-Jiang Wang,Tian Tian,Li Wang,Yijun Yan,Sheng-Xiong Huang Nat. Prod. Rep. 2021 38 1634 - 8. Novel insights into multitargeted potential of N′-(4-benzylpiperidin-1-yl)alkylamine derivatives in the management of Alzheimer's disease associated pathogenesis
Poonam Meena,Apra Manral,Vishal Nemaysh,Vikas Saini,Fouzia Siraj,Pratibha Mehta Luthra,Manisha Tiwari RSC Adv. 2016 6 104847 - 9. Evaluation and structure–activity relationship analysis of antioxidant shrimp peptides
Dan Wu,Na Sun,Jie Ding,BeiWei Zhu,Songyi Lin Food Funct. 2019 10 5605 - 10. Amelioration of scopolamine induced cognitive dysfunction and oxidative stress by Inonotus obliquus – a medicinal mushroom
Vijayasree Vayalanellore Giridharan,Rajarajan Amirthalingam Thandavarayan,Tetsuya Konishi Food Funct. 2011 2 320
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