(+)-Cinchonine 辛可宁

CAS 118-10-5 MFCD00064372

化学结构图

118-10-5
SMILES: C=C[C@@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12

化学属性

Mol. FormulaC19H22N2O
Mol. Weight294.39
Density1.2
TSCAYes
Melting Point256-266°C
Solubility不溶
Stability对光敏感
Refractive index223 ° (C=0.5, EtOH)
Boiling Point464.5°C at 760 mmHg

别名和识别编码

Chemical Name(+)-Cinchonine
CAS Number118-10-5
Alfabeta NameQUINOLINYLVINYLQUINUCLIDINYLMETHANOL +452(())------
MDL NumberMFCD00064372
EC Number204-234-6
Beilstein Registry Number23(2)369
Merck Number2287
PubChem Substance ID90454
Synonym Cinchonine {LY} Cinchonine {} {LY} Cinchonine {} {} {LY} Cinchonine {} {} {} {LY} Cinchonine {} {} {} {} {LY} Cinchonine {} {} {} {} {} {LY} Cinchonine {} {} {} {} {} {} {LY} Cinchonine {} {} {} {} {} {} {} {LY} Cinchonine {} {} {} {} {} {} {} {} {LY} Cinchonine {} {} {} {} {} {} {} {} {} {LY} Cinchonine {} {} {} {} {} {} {} {} {} {} {LY} Cinchonine {} {} {} {} {} {} {} {} {} {} {} {LY} Cinchonine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinchonine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinchonine {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinchonine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinchonine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinchonine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation辛可宁
Reaxys-RN89689
Wiswesser Line NotationT66 BNJ EYQ- DT66 A B CNTJ A1U1
LabNetwork Molecule IDLN03298710
InChIInChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1
Canonical SMILESO[C@@H](C1=CC=NC2=CC=CC=C12)[C@]3([H])[N@@]4C[C@H](C=C)[C@@H](CC4)C3
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分类

  • {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Catalysts, Ligands, and Reagents, Chiral Resolution Reagents, Chiral R
  • {SNA} Asymmetric Synthesis, Bioactive Small Molecules, CI-CY, Chemical Synthesis, Chiral Catalysts, Ligands, and Reagents, Chiral Resolution Reagents, Chiral Resolving Reagents, Cinchona Alkaloids, Privileged Ligands and Complexes, 细胞生物学
  • {SNA} Asymmetric Synthesis, Bioactive Small Molecules, CI-CY, Cell Biology, Chemical Synthesis, Chiral Catalysts, Ligands, and Reagents, Chiral Resolution Reagents, Chiral Resolving Reagents, Cinchona Alkaloids, Privileged Ligands and Complexes

相关文献及参考

  • Resolving agent for chiral acids. For practical details for use in the resolution of 1,1'-bi(2-naphthol) via the cyclic phosphate ester, see: Org. Synth. Coll., 8, 50 (1993).
  • Merck: 14,2287 Beilstein:23(2)369
  • Merck: 14,2287

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
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。
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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+P312+P330
  • P302+P352
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P333+P313
  • 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.....
RTECSGD3500000
Storage condition 2-8°C, protect from light, stored under nitrogen {LY} 2-8°C, protect from light, stored under nitrogen Light Sensitive {} {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 l
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H332 Harmful if inhaled 吸入有害
Hazard Codes Xn
Packing GroupIII
Hazard Class6.1(b)
UN Number 1544
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 152 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
   Behavioral - changes in motor activity (specific assay)
REFERENCE :
   APTOA6 Acta Pharmacologica et Toxicologica.  (Copenhagen, Denmark)  V.1-59,
   1945-86.  For publisher information, see PHTOEH  Volume(issue)/page/year:
   4,265,1948

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Cardiac - other changes
   Lungs, Thorax, or Respiration - respiratory depression
   Blood - other hemolysis with or without anemia
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(issue)/page/year: 205,129,1948

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Blood - other hemolysis with or without anemia
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(issue)/page/year: 205,129,1948

其他信息

  • 金鸡纳生物碱:辛可宁是一种喹啉型生物碱,为金鸡纳生物碱的一种,又称金鸡宁、弱金鸡纳碱,为辛可尼定的立体异构体。分子式C19H22N2O。分子量294.40。由醚中得白色针状或棱形晶体。熔点58~60℃,[α]D15+48°(乙醇,C=1)。在220℃开始升华。能溶于醇、醚、丙酮、苯和氯仿,几乎不溶于冷水。在光照下色泽变深,其水溶液在98~100℃经磷酸及有机酸(尤其是乙酸)作用,大部分或几乎全部转化为辛可毒,而在盐酸中不发生或仅有少量发生这种转化。在盐酸或乙酸中由钯催化氢化得到二氢辛可宁,在乙酸中于50℃由铂加压催化氢化得六氢辛可宁。本品天然存在于茜草科金鸡纳属植物中,1820年法国的化学家皮埃尔·佩尔蒂埃(PierrePelletier)与约瑟夫·卡文图(JosephCaventou)首次从金鸡纳树皮中分离出有效成分奎宁和金鸡宁(cinchonine)两种活性生物(alkaloids),临床上可以治疗各种疟疾。还可以作铋及钨试剂。可由辛可宁酮经乙醇和钠反应,或于乙酸中由铁还原而得。
  • TCI Shanghai:辛可宁 Cinchonine,>;98.0%(T)(118-10-5)
  • Acros Organics:辛可宁碱 Cinchonine, 99%(118-10-5)
  • 辛可宁价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 61001383 辛可宁;弱金鸡纳碱 25g 260元 2011/04/16 C0350 辛可宁 Cinchonine 200G 1930元 2011/04/16 C0350 辛可宁 Cinchonine 25G 374元
  • 不溶于水。
  • Alfa Aesar:(+)-辛可宁,98%,cont.upto3%quinidine/dihydroquinidineand3%quinine/dihydroquinidine (+)-Cinchonine, 98+%, cont. up to 3% quinidine/dihydroquinidine and 3% quinine/dihydroquinine(118-10-5)
  • 图谱信息:辛可宁(118-10-5)红外图谱(IR2) 辛可宁(118-10-5)质谱(MS) 辛可宁(118-10-5)红外图谱(IR1)
  • Sigma Aldrich:118-10-5(sigmaaldrich)
  • 下游产品:(S)-(-)-1,2,3,4-四氢-1-萘甲酸 --> 奎宁硫酸盐
  • MOL 文件:118-10-5.mol
  • F:8-34
  • 比旋光度:224 ° (c=0.5, alcohol)
  • 敏感性:Light Sensitive

系列性分类


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