Gitoxin 支皂素

CAS 4562-36-1 MFCD00021173

化学结构图

4562-36-1
SMILES: C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)[C@@H](O)C[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O

化学属性

Mol. FormulaC41H64O14
Mol. Weight780.94
Density1.422
Melting Point265 °C
Boiling Point661.93 °C at 760 mmHg

别名和识别编码

Chemical NameGitoxin
CAS Number4562-36-1
EC Number224-934-5
Beilstein Registry Number0077015
Synonym Gitoxin {LY} Gitoxin gitoxin {} {LY} Gitoxin {} {} {LY} Gitoxin {} {} {} {LY} Gitoxin {} {} {} {} {LY} Gitoxin {} {} {} {} {} {LY} Gitoxin {} {} {} {} {} {} {LY} Gitoxin {} {} {} {} {} {} {} {LY} Gitoxin {} {} {} {} {} {} {} {} {LY} Gitoxin {} {} {} {} {} {} {} {} {} {LY} Gitoxin {} {} {} {} {} {} {} {} {} {} {LY} Gitoxin {} {} {} {} {} {} {} {} {} {} {} {LY} Gitoxin {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gitoxin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gitoxin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gitoxin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gitoxin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gitoxin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gitoxin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gitoxin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00021173
Chemical Name Translation支皂素
Wiswesser Line NotationL E5 B666TJ A1 E1 GQ IQ F- DT5OV EHJ& OO- FT6OTJ B1DQ CO- FT6OTJ B1 DQ CO- FT6OTJ B1 CQ DQ
PubChem Substance ID91540
InChIInChI=1S/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25+,26-,27+,28+,29+,30+,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
Canonical SMILESO[C@@]([C@@]([C@@]1([H])C(CO2)=CC2=O)(CC3)C)(C[C@@H]1O)[C@@](CC[C@]4([H])C[C@H]5O[C@H](O[C@@H]6C)C[C@@H]([C@@H]6O[C@H](O[C@@H]7C)C[C@@H]([C@@H]7O[C@H](O[C@@H]8C)C[C@@H]([C@@H]8O)O)O)O)([H])[C@@]3([H])[C@]4(CC5)C
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分类

  • {SNA} Analytical Standards, Chromatography, EP Standards, EP Standards G - H, Pharmaceutical Standards, Pharmacopeia Standards, 分析/色谱
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, Pharmaceutical Standards, Pharmacopeia Standards,
  • {SNA} Analytical Standards, Chromatography, Pharmaceutical Standards, Pharmacopeia Standards, USP Standards, USP Standards G - H, 分析/色谱
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, EP Standards, EP Standards G - H, Pharmaceutical Standards, Pharmacopeia Standards

安全信息

Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • 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;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
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
  • R26/27/28 Very toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有剧毒
Precautionary statements
  • 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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • 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。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P301+P310
  • P301+P316
  • P302+P350
  • P302+P352
  • P304+P340
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P316
  • P320 Specific treatment is urgent (see … on this label). 紧急具体治疗(见本标签上的)。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P361+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H300 Fatal if swallowed 吞食致命
  • H310 Fatal in contact with skin 皮肤接触致命
  • H330 Fatal if inhaled 吸入致命
RTECSLZ0525000
Hazard Codes T+
Packing GroupI
UN Number
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 4400 ug/kg
TOXIC EFFECTS :
   Cardiac - cardiomyopathy including infarction
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 155,251,1965

TYPE OF TEST            : LD5

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : >25 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 159,1,1966

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Bird - pigeon
DOSE/DURATION           : 1210 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CPBTAL Chemical and Pharmaceutical Bulletin.  (Japan Pub. Trading Co., USA,
   1255 Howard St., San Francisco, CA 94103)  V.6-    1958-
   Volume(issue)/page/year: 11,613,1963

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 590 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOXIA6 Toxicon.  (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW,
   UK)  V.1-    1962-  Volume(issue)/page/year: 8,85,1970

TYPE O

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

系列性分类


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