Articles:
(R)-N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-benzo(c)pyran-7-yl)carbonyl)-3-phenyl alanine
Notes:
Mycotoxin. Prod. by Aspergillus melleus, Aspergillus sulphureus and Penicillium viridicatum.Potential contaminant of foodstuffs, especially cereals. Found in stored grain products in UK (1997)
Ochratoxin A, a toxin produced by Aspergillus ochraceus and Penicillium verrucosum, is one of the most abundant food-contaminating mycotoxins in the world. Human exposure occurs mainly through consumption of improperly stored food products, particularly contaminated grain and pork products, as well as coffee, wine grapes and dried grapes. The toxin has been found in the tissues and organs of animals, including human blood and breast milk. Ochratoxin A toxicity has large species- and sex-specific differences.
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| CAS Number: | 303-47-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 206-143-7 | |
| FDA UNII: | 1779SX6LUY | |
| Nikkaji Web: | J1.519I | |
| Beilstein Number: | 1301486 | |
| MDL: | MFCD00078079 | |
| XlogP3: | 4.70 (est) | |
| Molecular Weight: | 403.81766000 | |
| Formula: | C20 H18 Cl N O6 | |
| 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:
| Appearance: | white crystalline powder (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 0.9872 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| EMD Millipore |
| For experimental / research use only. |
| Ochratoxin A |
| Glentham Life Sciences |
| Ochratoxin A |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Ochratoxin A ≥98% |
| Sigma-Aldrich |
| For experimental / research use only. |
| Ochratoxin A from Aspergillus ochraceus, reference material |
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: | |
|
oral-chicken LD50 3300 ug/kg KIDNEY, URETER, AND BLADDER: OTHER CHANGES LIVER: OTHER CHANGES CARDIAC: PERICARDITIS Applied Microbiology. Vol. 21, Pg. 492, 1971. oral-duck LD50 500 ug/kg LIVER: FATTY LIVER DEGERATION Nature. Vol. 205, Pg. 1112, 1965. intraperitoneal-mouse LD50 22 mg/kg Acta Pharmacologica et Toxicologica. Vol. 2, Pg. 109, 1946. intravenous-mouse LD50 25710 ug/kg GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Annales Recherches Veterinaires. Vol. 5, Pg. 233, 1974. oral-mouse LD50 46 mg/kg Toxicology Letters. Vol. 25, Pg. 1, 1985. oral-quail LD50 16500 ug/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA Poultry Science. Vol. 55, Pg. 786, 1976. intraperitoneal-rat LD50 12600 ug/kg SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH Annales Recherches Veterinaires. Vol. 5, Pg. 233, 1974. intravenous-rat LD50 12750 ug/kg SKIN AND APPENDAGES (SKIN): HAIR: OTHER GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Annales Recherches Veterinaires. Vol. 5, Pg. 233, 1974. oral-rat LD50 20 mg/kg LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA Food and Cosmetics Toxicology. Vol. 6, Pg. 479, 1968. unreported-rat LD50 22 mg/kg Indian Journal of Experimental Biology. Vol. 29, Pg. 813, 1991. | |
| Dermal Toxicity: | |
|
subcutaneous-chicken LDLo 11 mg/kg LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL" Applied Microbiology. Vol. 21, Pg. 492, 1971. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for (-)-ochratoxin A usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for (-)-ochratoxin A flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| European Food Safety Authority (EFSA) reference(s): | |
| Outcome of a public consultation on the risk assessment of ochratoxin A in food View page or View pdf | |
| Risk assessment of ochratoxin A in food View page or View pdf | |
| EPI System: | View |
| ClinicalTrials.gov: | search |
| Daily Med: | search |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| Carcinogenic Potency Database: | Search |
| EPA GENetic TOXicology: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 442530 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid | |
| Chemidplus: | 0000303479 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | AY4375000 for cas# 303-47-9 |
References:
| (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 442530 |
| Pubchem (cas): | 303-47-9 |
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 |
| KEGG (GenomeNet): | C09955 |
| HMDB (The Human Metabolome Database): | HMDB29399 |
| FooDB: | FDB000488 |
| Export Tariff Code: | 2932.29.3000 |
| 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
| aspergillus melleus Search PMC Picture | |
| aspergillus ochraceus Search PMC Picture | |
| aspergillus sulphureus Search PMC Picture | |
| barley seed Search Trop Picture | |
| penicillium viridicatum Search PMC Picture | |
| wheat seed Search Trop Picture |
Synonyms:
| antibiotic 9663 | |
| (R)-N-((5- | chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-benzo(c)pyran-7-yl)carbonyl)-3-phenyl alanine |
| (2S)-2-[[(3R)-5- | chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid |
| N-((5- | chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-, (-)- |
| (-)-N-((5- | chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenylalanine |
| L- | phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)- |