9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium sulfate(2:1) 硫酸黄连素水合物

CAS 316-41-6 MFCD00031743

化学结构图

316-41-6
SMILES: COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.O=S(=O)([O-])[O-]

化学属性

Mol. FormulaC20H18NO4.1/2O4S
Mol. Weight384.40

别名和识别编码

Chemical Name9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium sulfate(2:1)
Synonym Berberine (hemisulfate) {LY} Berberine (hemisulfate) {} {LY} Berberine (hemisulfate) {} {} {LY} Berberine (hemisulfate) {} {} {} {LY} Berberine (hemisulfate) {} {} {} {} {LY} Berberine (hemisulfate) {} {} {} {} {} {LY} Berberine (hemisulfate) {} {} {} {} {} {} {LY} Berberine (hemisulfate) {} {} {} {} {} {} {} {LY} Berberine (hemisulfate) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Berberine (hemisulfate) {} {} {} {} {} {} {} {} {} {LY} Berberine (hemisulfate) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Berberine (hemisulfate) {} {} {} {} {} {} {} {} {} {} {} {LY} Berberine (hemisulfate) {} {} {} {} {} {} {} {} {} {} {} {} {LY} Berberine (hemisulfate) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Berberine (hemisulfate) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Berberine (hemisulfate) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Berberine (
MDL NumberMFCD00031743
PubChem Substance ID87563488
Reaxys-RN3877732
CAS Number316-41-6
Merck Number1154
Beilstein Registry Number27,500
Chemical Name Translation硫酸黄连素水合物
Wiswesser Line NotationT F5 D6 C666 GO IO OK HH&&T&&J RO1 SO1 2 &..S-O4
InChIInChI=1S/2C20H18NO4.H2O4S/c2*1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4/h2*3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2
LabNetwork Molecule IDLN01740317
Canonical SMILESO=S([O-])([O-])=O.COC1=C(OC)C2=C[N+]3=C(C(C(CC3)=C4)=CC5=C4OCO5)C=C2C=C1.[0.5]
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分类

  • {SNA} Alkaloid, Drug Efflux Pumps, Drug Transport Compounds, Drug Transport Proteins & Reagents, Membrane Protein Biology Tools, Modulators for MDR/TAP Transporters, Multi-Drug Resistance,
  • {SNA} Alkaloid, B, Bioactive Small Molecules, Biochemicals and Reagents, Cell Biology,

安全信息

Hazard statements
  • H301+H311+H331
  • H332 Harmful if inhaled 吸入有害
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
WGK Germany3
GHS Symbol
Precautionary statements
  • 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。
  • 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。
  • 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。
  • 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。
  • P301+P310+P330
  • P302+P352+P312+P361+P364
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P405 Store locked up. 上锁保管。
  • P304+P340+P311
  • 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。
  • P302+P350
  • P403+P233
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
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
RTECSDR9867300
UN Number 1544
Packing GroupIII
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 13200 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,770,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 26400 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,770,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 8200 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,770,1982

Storage condition 2-8°C, sealed storage, away from moisture {LY} 2-8°C, sealed storage, away from moisture {} {LY} 2-8°C, sealed storage, away from moisture {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moist

系列性分类

  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Chemical Classification - Nutrition Research
  4. Alkaloid - Phytochemicals by Chemical Classification
  1. Functional Group 官能团索引
  2. sulfuric acid
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Alkaloids

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