Articles:
(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
Notes:
toxic component of picrotoxin; noncompetitive antagonist of ionotropic gaba receptors.
| CAS Number: | 17617-45-7 |  3D/inchi
|
| FDA UNII: | 9K011NUF0R | |
| MDL: | MFCD00078765 | |
| XlogP3-AA: | 0.50 (est) | |
| Molecular Weight: | 292.28772000 | |
| Formula: | C15 H16 O6 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 551.60 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 417.00 °F. TCC ( 214.00 °C. ) (est) |
| logP (o/w): | -0.130 (est) |
| Soluble in: | |
| water, 1e+006 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| ExtraSynthese |
| For experimental / research use only. |
| Picrotoxinin |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Picrotoxinin |
| Sigma-Aldrich: Sigma |
| For experimental / research use only. |
| Picrotoxinin |
Safety Information:
| Preferred SDS: View | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
|
intraperitoneal-mouse LD50 8980 ug/kg Current Toxicology. Vol. 1, Pg. 199, 1993. | |
| Dermal Toxicity: | |
|
subcutaneous-dog LDLo 1100 ug/kg "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931. subcutaneous-frog LDLo 1100 ug/kg "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931. subcutaneous-mouse LDLo 1600 ug/kg BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of the American Pharmaceutical Association. Vol. 23, Pg. 98, 1934. subcutaneous-rabbit LDLo 1350 ug/kg "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for picrotoxinin usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for picrotoxinin flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Daily Med: | search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 442292 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| Chemidplus: | 0017617457 |
| RTECS: | PC5150000 for cas# 17617-45-7 |
References:
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 442292 |
| Pubchem (sid): | 135061924 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| anamirta cocculus seed Search Trop Picture |
Synonyms:
| picrotoxinine | |
| (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 |