Cinchonidine 辛可尼定

CAS 485-71-2 MFCD00006783

化学结构图

485-71-2
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
Melting Point204-206°C
TSCAYes
Solubility不溶
Refractive index-107.5 ° (C=1, EtOH)
Boiling Point464.5°C at 760 mmHg

别名和识别编码

Chemical NameCinchonidine
CAS Number485-71-2
Synonym Cinchonidine {LY} Cinchonidine {} {LY} Cinchonidine {} {} {LY} Cinchonidine {} {} {} {LY} Cinchonidine {} {} {} {} {LY} Cinchonidine {} {} {} {} {} {LY} Cinchonidine {} {} {} {} {} {} { {} {} {} {} {} {} {LY} Cinchonidine {} {} {} {} {} {} {} {LY} Cinchonidine {} {} {} {} {} {} {} {} {LY} Cinchonidine {} {} {} {} {} {} {} {} {} {LY} Cinchonidine {} {} {} {} {} {} {} {} {} {} {LY} Cinchonidine {} {} {} {} {} {} {} {} {} {} {} {LY} Cinchonidine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinchonidine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinchonidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinchonidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinchonidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinchonidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00006783
EC Number207-622-3
Beilstein Registry Number89690
PubChem Substance ID101744
Merck Number2286
Reaxys-RN5286475
Chemical Name Translation辛可尼定
Wiswesser Line NotationT66 BNJ EYQ- DT66 A B CNTJ A1U1
LabNetwork Molecule IDLN01352347
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 SMILESC=C[C@H]1C[N@](CC[C@H]1C2)[C@]2([H])[C@H](O)C3=CC=NC4=CC=CC=C34
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分类

  • {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
  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; alcohol; chiral; 1fragment
  • Chiral Reagents
  • Heterocycles
  • {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Catalysts, Ligands,

产品应用

  • Occurs in most varieties of Cinchona

相关文献及参考

  • Merck: 14,2286 Beilstein:23,420
  • Short: III/5b
  • Merck: 14,2286
  • Short: EINECS
  • Litchfield, J., et al.: J. Pharm. Exp. Ther., 96, 99

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • 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
  • R22 Harmful if swallowed 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
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R48/22
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P203
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P312
  • P301+P312+P330
  • P301+P317
  • P302+P352
  • P304+P312
  • P304+P340
  • P308+P313
  • 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。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
  • P317
  • P318
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P333+P313
  • P333+P317
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H361d Suspected of damaging the unborn child 怀疑对未出生婴儿造成伤害
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
RTECSGD2975000
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
Hazard Codes 6.1 Xn Xn,Xi
Packing GroupIII
UN Number 1544
Hazard Class6.1(b)
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - quail
DOSE/DURATION           : >316 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EESADV Ecotoxicology and Environmental Safety.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1977-  Volume(issue)/page/year:
   6,149,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 206 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - muscle contraction or spasticity
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

其他信息

  • Alfa Aesar:辛可尼丁,99% (-)-Cinchonidine, 99% (total base), may cont. up to 5% quinine(485-71-2)
  • 海关编码:29392900
  • MSDS 信息:L-Cinchonidine(485-71-2).msds
  • Acros Organics:辛可尼丁/4-喹啉基-(5-乙烯基-1-氮杂双环[2.2.2]辛烷-2-基)甲醇 Cinchonidine, 98.5-101%(485-71-2)
  • Sigma Aldrich:485-71-2(sigmaaldrich)
  • 图谱信息:辛可尼丁(485-71-2)质谱(MS) 辛可尼丁(485-71-2)红外图谱(IR1) 辛可尼丁(485-71-2)红外图谱(IR2) 辛可尼丁(485-71-2)核磁图( 13 CNMR)
  • 下游产品:(S)-7,7'-双[二(3,5-二甲基苯基羟亚磷基))-1,1'-螺二氢茚 --> (R)-7,7'-二联苯羟亚膦-1,1'-螺旋菌 --> (S)-1,1-螺二氢茚-7,7-二酚 --> (11AR)-(+)-10,11,12,13-四氢茚并[7,1-DE:1',7'-FG][1,3,2]二氧磷-5-双[-1-苯乙基]胺 --> 苯基-[R-1,1-螺二氢茚-7,7-二基]-亚磷酸酯 --> N-二甲基-1,1-螺旋茚丹-7,7-二基磷铵 --> 消旋螺环二酚(RAC-1) --> 二氯[1,1'-双(耳叔丁基膦)二茂铁钯(II) ]PALLADIUM(II) --> 1,1'-双(二叔丁基膦)二茂铁 --> 2-(二环己基膦基)联苯 --> S-氰戊菊酯 --> 奎宁硫酸盐 --> 福辛普利 --> 贝那普利 --> N-苄基氯化辛可宁丁
  • TCI Shanghai:辛可尼定 Cinchonidine,>;98.0%(T)(485-71-2)
  • 辛可尼丁价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 C0347 辛可尼定 Cinchonidine 25G 771元 2011/04/16 C0347 辛可尼定 Cinchonidine 250G 5280元 2010/06/21 110331000 辛可尼丁 Cinchonidine 98.5-101% 100 GR 1319元
  • 不溶于水,溶于醇和氯仿。
  • 辛可尼丁价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0347 辛可尼定 Cinchonidine 25G 707元 2014/06/02 C0347 辛可尼定 Cinchonidine 250G 5100元 2010/06/21 110331000 辛可尼丁 Cinchonidine 98.5-101% 100 GR 1319元
  • 敏感性:Light Sensitive
  • 比旋光度:-115 ° (c=1, EtOH)
  • 存储注意事项:光敏感
  • MOL 文件:485-71-2.mol

系列性分类


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