Cas no 750-88-9 (Quinine benzoate)
Quinine benzoate structure
Product Name:Quinine benzoate
CAS No:750-88-9
MF:C20H24N2O2.C7H6O2
MW:446.5381
CID:39746
Update Time:2018-12-21
Quinine benzoate Chemical and Physical Properties
Names and Identifiers
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- Quinine benzoate
- (S)-[(5R,7S)-5-Ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol benzoate
- (S)-(6-methoxy-4-quinolyl)-[(2S,5R)-5-vinylquinuclidin-2-yl]methanol
- (S)-[(5R,7S)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol
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- Inchi： InChI=1S/C20H24N2O2.C7H6O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;8-7(9)6-4-2-1-3-5-6/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-5H,(H,8,9)/t13-,14-,19-,20+;/m0./s1
- InChI Key： AQHKBFWCAHXPDT-DSXUQNDKSA-N
- SMILES： C12C(N=CC=C1[C@@H](O)[C@@]1([H])[N@]3CC[C@H]([C@@H](C=C)C3)C1)=CC=C(OC)C=2.C(O)(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 444.20500
Experimental Properties
- PSA: 60.89000
- LogP: 5.33440
Quinine benzoate Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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