Grayanotoxin III Hemi(ethyl acetate) adduct

CAS 4678-45-9 MFCD00285883

化学结构图

4678-45-9
SMILES: CC1(O)CC23CC(O)C4(O)C(CC(O)C4(C)C)C(C)(O)C2CCC1C3O

化学属性

Mol. Weight370.54
Mol. FormulaC20H34O6

别名和识别编码

MDL NumberMFCD00285883
CAS Number4678-45-9
InChIKeyBWMFRQKICHXLSH-ROASOBKTSA-N
Chemical Name7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8- tetramethyl-,(2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-
Wiswesser Line NotationL E5 B765 A 1B P BXTJ AQ DQ EQ F1 F1 GQ JQ J1 OQ O1
Synonym Deacetylandromedotoxin Deacylasebotoxin I Grayanotoxane-3,5,6,10,14,16-hexol, (3-beta,6-beta,14R)- Grayanotoxin III Andromedol
Beilstein Registry Number2059374
PubChem Substance ID11057730
InChIInChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10-,11+,12+,13+,14-,15-,17-,18-,19+,20+/m1/s1
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分类

  • {SA} Cell Biology, Cell Signaling and Neuroscience, Ion Channels, Monovalent Ion Channels, Other Sodium Channel Modulators, Sodium Channel Modulators, Voltage-gated Ion Channels

安全信息

GHS Symbol
WGK Germany3
Precautionary statements
  • P301+P310
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P305+P351+P338
Signal word Danger
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H331 Toxic if inhaled 吸入中毒
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H301 Toxic if swallowed 吞食有毒
  • H319 Causes serious eye irritation 严重刺激眼睛
RTECSPB9190000
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 840 mg/kg
TOXIC EFFECTS :
   Behavioral - changes in motor activity (specific assay)
   Behavioral - ataxia
   Behavioral - muscle contraction or spasticity
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   35,303,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 400 ug/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   44,259,1980

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Ion Channels - Cell Signaling and Neuroscience
  5. Voltage-gated Ion Channels - Ion Channels
  6. Monovalent Ion Channels - Voltage-gated Ion Channels
  7. Sodium Channel Modulators - Monovalent Ion Channels
  8. Other Sodium Channel Modulators - Sodium Channel Modulators

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