CAS Number303-47-9
SynonymsMFCD00078079; lanine; 3R,14S-Ochratoxin A; Phe-OTA; EINECS 206-143-7; bonyl]phenylalanine; Ponceau S Staining Solution; N-{[(3R)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine; Ochratoxin A; Ochratoxin A(OTA)
Molecular FormulaC20H18ClNO6
Molecular Weight403.81
Density1.4±0.1 g/cm3
Boiling Point632.4±55.0 °C at 760 mmHg
Melting Point169ºC
AppearanceWhite crystalline solid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 303-47-9 |
| Catalog No. | 2A-1177735 |
| Chinese Name | 曲霉素A |
| Synonyms | MFCD00078079; lanine; 3R,14S-Ochratoxin A; Phe-OTA; EINECS 206-143-7; bonyl]phenylalanine; Ponceau S Staining Solution; N-{[(3R)-5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine; Ochratoxin A; Ochratoxin A(OTA) |
| Molecular Formula | C20H18ClNO6 |
| Molecular Weight | 403.81 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 632.4±55.0 °C at 760 mmHg |
| Melting Point | 169ºC |
| Appearance | White crystalline solid |
| Storage Condition | Store at 2-8°. |
| Application | Ochratoxin A is a typical mycotoxin of the genus Aspergillus. It is a common secondary metabolite in cereals, coffee, grapes, wine, beer, etc. [1]. |
| MDL Number | MFCD00078079 |
| SMILES | C[C@@H]1Cc2c(Cl)cc(c(O)c2C(=O)O1)C(=O)N[C@@H](Cc3ccccc3)C(O)=O |
| InChI | 1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1 |
| InChI Key | RWQKHEORZBHNRI-BMIGLBTASA-N |
| Beilstein/REAXYS | 8169012 |
| NACRES Code | NA.24 |
| UNSPSC | 85151701 |
| Hazard Symbols | 6.1(a) |
| Bioactivity | Ochratoxin A is one of the mycotoxins typically produced by the species of Aspergillus genus. It is a commonly found secondary metabolite in cereals, coffee, grape must, wine, beer, etc[1]. Related Catalog Research Areas >> Others Target Human Endogenous Metabolite References [1]. Hoehler D, et al. Induction of free radicals in hepatocytes, mitochondria and microsomes of rats by ochratoxin A and its analogs. Biochim Biophys Acta. 1997 Jun 27;1357(2):225-33. Chemical & Physical Properties Density 1.4±0.1 g/cm3 Boiling Point 632.4±55.0 °C at 760 mmHg Melting Point 169ºC Molecular Formula C20H18ClNO6 Molecular Weight 403.813 Flash Point 336.3±31.5 °C Exact Mass 403.082275 PSA 112.93000 LogP 4.31 Vapour Pressure 0.0±2.0 mmHg at 25°C Index of Refraction 1.628 InChIKey RWQKHEORZBHNRI-BMIGLBTASA-N SMILES CC1Cc2c(Cl)cc(C(=O)NC(Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 |
| Use of | Ochratoxin A is one of the mycotoxins typically produced by the species of Aspergillus genus. It is a commonly found secondary metabolite in cereals, coffee, grape must, wine, beer, etc[1]. Properties Articles84 Name ochratoxin A Synonym More Synonyms Ochratoxin A Biological Activity Description Ochratoxin A is one of the mycotoxins typically produced by the species of Aspergillus genus. It is a commonly found secondary metabolite in cereals, coffee, grape must, wine, beer, etc[1]. Related Catalog Research Areas >> Others Human Endogenous Metabolite References [1]. Hoehler D, et al. Induction of free radicals in hepatocytes, mitochondria and microsomes of rats by ochratoxin A and its analogs. Biochim Biophys Acta. 1997 Jun 27;1357(2):225-33. Chemical & Physical Properties Exact Mass 403.082275 PSA 112.93000 Index of Refraction 1.628 InChIKey RWQKHEORZBHNRI-BMIGLBTASA-N |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN number European Land Transport Danger Regulations: 3462 International Maritime Transport Danger Regulations: 3462 International Air Transport Danger Regulations: 3462 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: TOXINS EXTRAC TED FROM LIVING SOURCES, SOLID, N.O.S. IMDG: TOXINS, EXTRACTED FROM LIVING SOURCES, SOLID, N.O.S. International air transport hazard regulations: Toxins, extracted from living sources, solid, n.o.s. (Ethyl acetate) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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