CAS 118-10-5 MFCD00064372-(+)-Cinchonine 辛可宁 TAO{mole}

(+)-Cinchonine 辛可宁

CAS 118-10-5 MFCD00064372

化学结构图

SMILES: C=C[C@@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12

化学属性

Mol. Formula	C19H22N2O
Mol. Weight	294.39
Density	1.2
TSCA	Yes
Melting Point	256-266°C
Solubility	不溶
Stability	对光敏感
Refractive index	223 ° (C=0.5, EtOH)
Boiling Point	464.5°C at 760 mmHg

别名和识别编码

Chemical Name	(+)-Cinchonine
CAS Number	118-10-5
Alfabeta Name	QUINOLINYLVINYLQUINUCLIDINYLMETHANOL +452(())------
MDL Number	MFCD00064372
EC Number	204-234-6
Beilstein Registry Number	23(2)369
Merck Number	2287
PubChem Substance ID	90454
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-RN	89689
Wiswesser Line Notation	T66 BNJ EYQ- DT66 A B CNTJ A1U1
LabNetwork Molecule ID	LN03298710
InChI	InChI=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 SMILES	O[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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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