Digitoxin 洋地黄毒苷

CAS 71-63-6 MFCD00003686

化学结构图

71-63-6
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)CC[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. FormulaC41H64O13
Mol. Weight764.94
Melting Point240 °C (dec.)(lit.)
Density1.422

别名和识别编码

Chemical NameDigitoxin
CAS Number71-63-6
Synonym Crystalline digitalin 5β,20(22)-Cardenolide-3β,14-diol-3-(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-[1→4]-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-[1→4]-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy Acedoxin Purpurid Digitoxoside Monodigitoxoside Digitoxigenin tridigitoxoside 洋地黄毒苷 Digitoxigenin-tridigitoxosid Mono-glycocard Unidigin Digisidin Tri-digitoxoside Digimerck Digitoxinum Carditalin Mono-digitoxid Tardigal (3?,5?)-3-[(O-2,6-Dideoxy-?-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-?-D-ribo-hexopyranosyl)oxyl]-14-hydroxycard-20(22)-enolide Asthenthilo Glucodigin Digitalin Cardigin Crystodigin Cardit Digitrin Crystalline 洋地黄毒甙 Digitophyllin Ditaven Cristapurat Cardidigin Lanatoxin Carditoxin Myodigin
PubChem Substance ID441207
EC Number200-760-5
Beilstein Registry Number76678
MDL NumberMFCD00003686
Chemical Name Translation洋地黄毒苷
Wiswesser Line NotationL E5 B666TJ A1 E1 IQ F- DT5OV EHJ& OO- FT6OTJ B1 DQCO- FT6OTJ B1 DQ CO- FT6OTJ B1 CQ DQ
LabNetwork Molecule IDLN01343864
InChIInChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
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分类

  • {S
  • {SNA} Application In
  • {SNA} Application Index, Bioactive Small Molecule Alphabetical Index, Biochemicals and Reagents, Cell Signaling Enzymes, Conjugates, DIG-DY, Drug Efflux Pumps, Lipids, Multi-Drug Resistance, Multi-Drug Resistance and Drug Metabolism, Sterol Lipids, Substrates, Substrates for Drug Efflux Pumps, Xenobiotics and Drug Metabolism, 生物活性小分子, 细胞信号转导和神经科学,
  • {SNA}
  • {SA} Application Index, Bioactive Small Molecules, Biochemicals and Reagents, Cell Biology, Cell Signaling Enzymes, Cell Signaling and Neuroscience, Conjugates,
  • {SNA} Application Index,
  • {SNA} Analytical Standards,
  • {SNA} Application Index,

产品应用

  • Cardiotonic.

相关文献及参考

  • Foerster, et al.: Arch. Int. Pharmacodyn. Ther., 159, 1 (1966),
  • Merck 14 ,3163
  • Beil. 18 ,V,3,354
  • Aldrich MSDS 1 , 695:D / Corp MSDS 1 (1), 1254:B / FT-IR 1 (2), 1063:C / FT-IR 2 (3), 4256:B / FT-NMR 1 (3), 606:B / IR-Spectra (3), 1507:A / IR-Spectra (2), 1289:C / NMR-Reference 2 (2), 940:B / RegBook 1 (2), 2875:J / Sax 6 , 1035 / Sigma FT-IR 1 (1), 1233:D / Structure Index 1 , 460:D:7

安全信息

GHS Symbol
WGK Germany3
Hazard Codes T
Hazard statements
  • H331 Toxic if inhaled 吸入中毒
  • 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
  • H301 Toxic if swallowed 吞食有毒
  • H301+H331
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
RTECSIH2275000
Precautionary statements
  • P301+P310
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P305+P351+P338
Signal word Danger Warning
Safety Statements
  • 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）；
  • 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；
  • S36/37/39 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
  • R33 Danger of cumulative effects 有累积作用的危险
  • R23/25 Toxic by inhalation and if swallowed 吸入及吞食都有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number 2811 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 1 mg/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            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 3050 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JJPAAZ Japanese Journal of Pharmacology.  (Japanese Pharmacological Soc.,
   c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto
   606, Japan)  V.1-    1951-  Volume(issue)/page/year: 9,91,1960

{hazard_c

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraduodenal
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 3 mg/kg
TOXIC EFFECTS :
   Cardiac - cardiomyopathy including infarction
   Cardiac - arrhythmias (including changes in conduction)
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 21,225,1971

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 325 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85ELDJ "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster,
   Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963  Volume(issue)/page/year:
   -,33,1963

TYP

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE                    : 200 ug/kg
SEX/DURATION            : female 27-30 week(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
   per # born alive)
   Reproductive - Effects on Newborn - other neonatal measures or effects
REFERENCE :
   AJCDAG American Journal of Cardiology.  (Technical Pub. Co., 875 Third Ave.,
   New York, NY 10022) V.1-    1958-  Volume(issue)/page/year: 6,834,1960

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. Plant Extracts - Phytochemicals by Chemical Classification
  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. DIG-DY - Bioactive Small Molecules
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Lipids - Biochemicals and Reagents
  4. Sterol Lipids - Lipids
  5. Conjugates - Sterol Lipids
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Enzymes, Inhibitors, and Substrates - Biochemicals and Reagents
  4. Application Index - Enzymes, Inhibitors, and Substrates
  5. Cell Signaling Enzymes - Application Index
  6. Xenobiotics and Drug Metabolism - Cell Signaling Enzymes
  7. Substrates - Xenobiotics and Drug Metabolism
  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Multi-Drug Resistance and Drug Metabolism - Cell Signaling and Neuroscience
  5. Multi-Drug Resistance - Multi-Drug Resistance and Drug Metabolism
  6. Drug Efflux Pumps - Multi-Drug Resistance
  7. Substrates for Drug Efflux Pumps - Drug Efflux Pumps
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Steroids
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Lipids
  4. Sterols
  5. Cholesterol and Derivatives
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Multi-Drug Resistance and Drug Metabolism
  5. Multi-Drug Resistance
  6. Detection and Quantitation
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Cell Signaling Enzymes
  5. Xenobiotics and Drug Metabolism
  6. Inhibitors

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