Product Name

  • Name

    PICROTOXININ

  • EINECS
  • CAS No. 17617-45-7
  • Article Data9
  • CAS DataBase
  • Density 1.52g/cm3
  • Solubility
  • Melting Point 203-205°C
  • Formula C15H16 O6
  • Boiling Point 551.6°Cat760mmHg
  • Molecular Weight 292.31
  • Flash Point 214°C
  • Transport Information
  • Appearance
  • Safety Poison by subcutaneous, intracerebral, and intramuscular routes. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes 25-28
  • Molecular Structure Molecular Structure of 17617-45-7 (PICROTOXININ)
  • Hazard Symbols
  • Synonyms 3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione,hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-, [1aR-(1aa,2ab,3b,6b,6ab,8aS*,8bb,9R*)]-; Picrotoxinin (6CI,7CI); (-)-Picrotoxinin; NSC 129537
  • PSA 85.36000
  • LogP -0.06200

Picrotoxinin Chemical Properties

Product Name: Picrotoxinin (CAS NO.17617-45-7)


Molecular Formula: C15H16O6
Molecular Weight: 292.28g/mol
Mol File: 17617-45-7.mol
Melting Point: 203-205°C
Boiling point:  551.6 °C at 760 mmHg 
Flash Point: 214 °C
Surface Tension: 61.3 dyne/cm
Enthalpy of Vaporization:  95.63 kJ/mol 
Vapour Pressure: 1.82E-14 mmHg at 25°C
XLogP3-AA: 0.5
H-Bond Donor: 1
H-Bond Acceptor: 6
Structure Descriptors of Picrotoxinin (CAS NO.17617-45-7):
  Canonical SMILES: CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C
  Isomeric SMILES: CC(=C)[C@@H]1[C@@H]2[C@@H]3[C@@]4([C@]([C@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O)C
  InChI: InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,13-,14-,15+/m1/s1 
  InChIKey: PIMZUZSSNYHVCU-YKWPQBAZSA-N
Product Categories: Miscellaneous Natural Products; AntagonistsIon Channels; GABA and Glycine Receptor Modulators; GABAergics; Ligand-Gated Ion Channels; Neurotransmitters

Picrotoxinin Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo subcutaneous 1100ug/kg (1.1mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
frog LDLo subcutaneous 1100ug/kg (1.1mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
mouse LD50 intracrebral 10ug/kg (0.01mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toxicology Letters. Vol. 60, Pg. 289, 1992.
mouse LD50 intraperitoneal 8980ug/kg (8.98mg/kg)   Current Toxicology. Vol. 1, Pg. 199, 1993.
mouse LDLo subcutaneous 1600ug/kg (1.6mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of the American Pharmaceutical Association. Vol. 23, Pg. 98, 1934.
pigeon LDLo intramuscular 1600ug/kg (1.6mg/kg)   Journal of the American Pharmaceutical Association. Vol. 23, Pg. 98, 1934.
pigeon LDLo subcutaneous 1600ug/kg (1.6mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
rabbit LDLo subcutaneous 1350ug/kg (1.35mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.

Picrotoxinin Safety Profile

Poison by subcutaneous, intracerebral, and intramuscular routes. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of Picrotoxinin (CAS NO.17617-45-7):
Hazard Codes: T+Very
Risk Statements: 25-28 
25:  Toxic if swallowed 
28:  Very Toxic if swallowed 
Safety Statements: 13-20-45-36/37-28
13:  Keep away from food, drink and animal feeding stuffs
20:  When using, do not eat or drink 
28:  After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 
36:  Wear suitable protective clothing  
37:  Wear suitable gloves 
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) 

Picrotoxinin Specification

 Picrotoxinin ,its CAS NO. is 17617-45-7,the synonyms is AI3-41571 ; NSC 129537 ; UNII-9K011NUF0R ; (1aR-(1aalpha,2abeta,3beta,6beta,6abeta,8aS*,8bbeta,9R*))-Hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-3,6-methano-8H-1,5,7-trioxa cyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione ; 3,6-Methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-, (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)- ; 3,6-Methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-, (1aR-(1a-alpha,2a-beta,3-beta,6-beta,6a-beta,8as*,8b-beta,9R*))- ; Picrotoxinin (from Anamirta cocculus seed) .

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