CAS 141433-60-5 MFCD00011939-Natural Yellow 18 氯化黄连素水合物 TAO{mole}

Natural Yellow 18 氯化黄连素水合物

CAS 141433-60-5 MFCD00011939

化学结构图

SMILES:

化学属性

Mol. Formula	C20H18ClNO4·xH2O
Mol. Weight	371.82(as Anhydrous)
Density	1.422
Melting Point	204-206
Appearance	黄莲素(2086-83-1)是一种常见的异喹啉生物碱。从乙醚中析出者为黄色针状结晶，熔点145℃。溶于水，难溶于苯、乙醚和氯仿。具有季胺盐的特征。其盐类在水中的溶解度都比较小。小檗碱盐酸盐在水中溶解度为1：500。小檗碱盐酸盐又称黄连素，为黄色结晶性粉末。易溶于沸水，微溶于冷水，几乎不溶于冷醇、氯仿和醚。
Solubility	Soluble in DMSO (74 mg/ml at 25 °C), ethanol (<1 mg/ml at 25 °C), water (<1 mg/ml at 25 °C), and methanol.
Stability	易吸潮

别名和识别编码

Chemical Name	Natural Yellow 18
Synonym	BERBERINE CHLORIDE HYDRATE 连黄素氯化物 BERBERINE HYDROCHLORIDE Natural Yellow 18 盐酸小薜碱水合盐酸小檗碱小檗碱盐酸盐,BERBERINUMHYDROCHLORIDE InsipBerberine NATURAL YELLOW 18 CHLORIDE 盐酸小檗碱水合物小檗碱 {Chemica 黄连素;盐酸黄连素;小檗碱盐酸盐;BBR {Chemi 黄连素 {Ch CI 75160 { 9,10-dimeth BERBERINE HYDROCHLORIDE N-HYDRATE Coptisrootextract 黄莲素盐酸盐水合物 5,6-二氢-9,10-二甲氧基苯并[G]-1,3-二茂苯 BBR 黄连素碱黄连素盐酸盐 {C 氯化黄连素,97%, 水 <17% LABOTEST-BB LT00440956 BERBERINE CHLORIDE 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-berbiniuchlori 5,6-二氢-9,10-二甲氧基苯并(G)1,3-苯并二恶茂(5,6-A)喹嗪盐酸盐 BERBERINE 氯化黄连素
Beilstein Registry Number	3836585
PubChem Substance ID	87563487
MDL Number	MFCD00011939
CAS Number	141433-60-5
EC Number	211-195-9
Reaxys-RN	3836585
Merck Number	1154
Chemical Name Translation	氯化黄连素水合物
InChIKey	YBHILYKTIRIUTE-UHFFFAOYSA-N

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分类

{SNA} Alkaloid, Cell Biology, Nutrition Research, Phytochemicals by Chemical Classification
{SNA} Alkaloid, Anti-Proliferative Agents,
{SNA} Alkaloid, Anti-Proliferative Agents, Antitumor Agents, B, Bioactive Small Molecules, Biochemicals and Reagents, Cancer Research, Cell Biology, Cell Signaling and Neuroscience, Drug Efflux Pumps, Drug Transport Compounds, Drug Transport Proteins & Reagents, Membrane Protein Biology Tools, Modulators for MDR/TAP Transporters, Multi-Drug Resistance, Multi-Drug Resistance and Drug Metabolism, Nutrition Research, Phytochemicals by Chemical Classification, Proteins and Derivatives
{SNA} Alkaloid,

产品应用

对细菌（主要痢疾、大肠杆菌，金葡球菌）具有微弱的抑制作用，并使细菌体上表面的菌毛数量减少，使细菌不易附着在人体细胞上，能使胃及十二指肠的消化道溃疡减轻。主要用于治疗胃肠炎、细菌性痢疾等肠道感染、腹泻。

安全信息

WGK Germany2

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

RTECSDR9866400

Signal word Warning

GHS Symbol

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；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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

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。
P305+P351+P338

Packing GroupIII

Hazard Class6.1(b)

UN Number 1544

Hazard Codes Xn

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 37 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 104,253,1952

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 60 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZYZAEU Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. (China
   International Book Trading Corp., POB 2820, Beijing, Peop. China) V.24-
   1989-  Volume(issue)/page/year: 25,335,1990

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >29586 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho,

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >15 gm/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 8,654,1974

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 25 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 286,243,1993

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Mammal - species unspecified Lymphocyte
DOSE/DURATION           : 22 umol/L
REFERENCE :
   IJBBBQ Indian Journal of Biochemistry and Biophysics.  (Publications &
   Information Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.8- 
     1971-  Volume(issue)/page/year: 18,245,1981

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 20 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 286,243,1993

其他信息

TCI Shanghai:氯化黄连素水合物 Berberi
方法一:以黄樟油素为原料，在减压下异构化得异黄樟油素，经氧化生成胡椒醛。胡椒醛与硝基甲烷缩合得β-硝基-3,4-二氧亚甲基苯乙烯，进一步还原得胡椒乙胺[1484-85-1]：胡椒乙胺与邻藜芦醛缩合，再经催化氢化、成盐、环合，碱化得小檗碱。继续用盐酸成盐即得黄连素。1.缩合、催化氢化、成盐将无水乙醇与邻藜芦醛混合，在搅拌下再加胡椒乙胺，稍加热使全部溶解。搅拌10min以上使缩合反应完全。另将镍催化剂与无水乙醇混和后与缩合物一起投入高压釜。先通氮置换空气，再通入氢气，控制压力接近4MPa、温度80-90℃，将氢化反应进行到不再吸氢，并继续保温、保压通氢1h为止。冷至30℃，降压至2MPa，静置，使镍催化剂沉降，再利用高压釜余压将反应液压出。压滤除去催化剂（浸入乙醇，供下批套用），滤液在搅拌下于50℃用盐酸乙醇酸化至pH3-4，冷却至5℃，保持4h使结晶。过滤，用少量乙醇洗涤，干燥即得N-2,3-二甲氧苄基胡椒乙胺盐酸盐。收率84%。2.环合、碱化、成盐依次将冰醋酸、乙酐、硫酸铜及氯化钠投入反应锅中，搅拌升温至65-70℃，缓缓加入乙二醛，升温至回流20min，冷却至90℃，加N-2,3-二甲氧苄基胡椒乙胺盐酸盐，升温至112-114℃反应4h。减压回收乙酸至投料量的70-80%后，加水搅匀，过滤。滤饼用热水洗涤，滤干，即得小檗三盐酸盐粗品。粗品先用石灰乳碱化得pH8-8.5，过滤得到的小檗碱氢氧化物滤液和洗液，以稀盐酸调pH1-2，过滤，滤饼溶于热水，加活性炭脱色，过滤，用稀盐酸调pH1-2，冷却，过滤，水洗，干燥，即得黄连素。小檗碱存在于小檗科等四个科十个属的许多植物中，用提取法生产小檗碱的工艺过程是：取三颗针或十根地下根洗静，切成薄片，晒干，粉碎，加0.5%硫酸溶液加热浸泡3-4次，每次24h。第3、4次浸出液套用浸泡下一批生药。第1、2次浸出液过滤，滤液加氯化钠饱和，放置，把结晶分离出来即为粗品。粗品用酸碱法精制得成品。每百公斤生药可得成品0.5kg。
可燃性危险特性:燃烧产生有毒氮氧化物烟雾;
上游原料:硝基甲烷 --> 乙二醛 --> 胡椒醛 --> 黄樟素 --> 2,3-二甲氧基苯甲醛 --> 异黄樟素 --> 盐酸小檗碱
Sigma Aldrich:141433-60-5(sigmaaldrich)
毒性分级:高毒
用途二:黄连素为抗菌药物，是《国家基本药物目录》，选列的品种，该品对溶血性链球菌，金黄色葡萄球菌，淋球菌和弗氏、志贺氏痢疾杆菌等均有抗菌作用，并有增强白血球吞噬作用，
F:3-10
Alfa Aesar:<17% Berberine chloride hydrate, 97%, water <17%(141433-60-5)" href="http://www.alfa.com/zh/GP100w.pgm?DSSTK=L03807&CAS;=141433-60-5">氯化黄连素,97%,水<17% Berberine chloride hydrate, 97%, water <17%(141433-60-5)
储运特性:低温通风低干燥; 因需求限量存储, 以防过量, 皮肤吸附中毒
盐酸小檗碱价格(试剂级):更新日期产品编号产品名称包装价格 2011/04/16 B0450 氯化黄连素水合物 Berberine Chloride Hydrate 25G 481元 2010/05/25 L03807 氯化黄连素,97%, 水 <17% Berberine chloride hydrate, 97%, water <17% 5g 246元 2010/05/25 L03807 氯化黄连素,97%, 水 <17% Berberine chloride hydrate, 97%, water <17% 25g 825元
急性毒性:口服-小鼠 LD50: 329 毫克/公斤; 皮下-小鼠 LD50: 18 毫克/公斤
EPA化学物质信息:Benzo[g]-1,3-benzodioxolo[ 5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride(633-65-8)