Cupreine (8α,9R)-奎宁-6',9-二醇

CAS 524-63-0 MFCD09842542

化学结构图

524-63-0
SMILES: C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(O)cc12

化学属性

Mol. FormulaC19H22N2O2
Mol. Weight310.39
Melting Point>171 °C
Boiling Point450.55 °C at 760 mmHg

别名和识别编码

Chemical NameO-Desmethyl Quinine
CAS Number524-63-0
Synonym (8α,9R)-Cinchonan-6',9-diol {LY} (8α,9R)-Cinchonan-6',9-diol 6'-hydroxycinchonidine 6'-hydroxycinchonidine dihydrochloride 6'-hydroxycinchonidine monohydrochloride 6'-hydroxycinchonidine, (9S)-isomer O-demethylquinidien O-desmethylquinidine cupreidine {} {LY} (8α,9R)-Cinchonan-6',9-diol {} {} {LY} (8α,9R)-Cinchonan-6',9-diol {} {} {} {LY} (8α,9R)-Cinchonan-6',9-diol {} {} {} {} {LY} (8α,9R)-Cinchonan-6',9-diol {} {} {} {} {} {LY} (8α,9R)-Cinchonan-6',9-diol {} {} {} {} {} {} {LY} (8α,9R)-Cinchonan-6',9-diol {} {} {} {} {} {} {} {LY} (8α,9R)-Cinchonan-6',9-diol {} {} {} {} {} {} {} {} {LY} (8α,9R)-Cinchonan-6',9-diol {} {} {} {} {} {} {} {} {} {LY} (8α,9R)-Cinchonan-6',9-diol {} {} {} {} {} {} {} {} {} {} {LY} (8α,9R)-Cinchonan-6',9-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (8α,9R)-Cinchonan-6',9-diol {} {} {} {} {} {} {} {} {} {} {} {} {LY} (8α,9R)-Cinchon
Chemical Name Translation(8α,9R)-奎宁-6',9-二醇
LabNetwork Molecule IDLN01269501
PubChem Substance ID92792
InChIInChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12-,13-,18-,19+/m0/s1
MDL Number
Canonical SMILESO[C@H](C1=CC=NC2=C1C=C(O)C=C2)[C@@]3([H])[N@](C[C@@H]4C=C)CC[C@H]4C3
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分类

  • Chiral Reagents
  • Heterocycles
  • Metabolites & Impurities
  • Pharmaceuticals
  • Intermediates & Fine Chemicals,
  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 6ring; 10ring; alcohol; chiral; 1fragment

产品应用

  • A metabolite of Quinine (Q694000).

相关文献及参考

  • Small, D.L., et al.: J. Chem. Med., 22, 1014 (1979),
  • Guentert, T.W., et al.: Eur. J. Drug Metab. Pharmacokinet., 7, 31 (1982),
  • Rakhir, A., et al.: J. Pharmacokinet. Biopharm., 12, 1 (1984),
  • Short: III/35C3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 3: Natural Compounds Author: Gupta, R.R.; Dobhal, M.P. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C3 Year: 2003 Keyword: chemical shift; coupling constant; molecular structure ISBN: 3-540-41058-9 ISBN: 978-3-540-41058-4 Internet Resource: DOI:10.1007/b76569 RefComment: VIII, 322 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: III/35D4 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 4: Natural Products Author: Dobhal, M.P. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D4 Year: 2006 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-29732-1 ISBN: 3-540-29732-4 Internet Resource: DOI:10.1007/b13179 RefComment: VIII, 417 p., 1925 illus., Hardcover RefComment: Written for Scientists and engineers in the fields of physics, chemistry and physical chemistry who intend to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based

安全信息

Storage condition 2-8°C, protect from light, stored under nitrogen {LY} 2-8°C, protect from light, stored under nitrogen {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitr
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H319 Causes serious eye irritation 严重刺激眼睛
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312
  • P301+P317
  • P302+P352
  • P305+P351+P338
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P333+P313
  • P333+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

系列性分类

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