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ChemicalBook--->CAS DataBase List--->19165-63-0

19165-63-0

19165-63-0 Structure

19165-63-0 Structure
IdentificationBack Directory
[Name]

5-Chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-carboxylic acid
[CAS]

19165-63-0
[Synonyms]

Ochratoxin α
(R)-Ochratoxin α
5-Chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-carboxylic acid
(R)-5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromancarboxylic acid
(R)-1-Oxo-3-methyl-5-chloro-3,4-dihydro-8-hydroxy-1H-2-benzopyran-7-carboxylic acid
(R)-5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-carboxylic acid
1H-2-Benzopyran-7-carboxylic acid, 5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-, (3R)-
[Molecular Formula]

C11H9ClO5
[MOL File]

19165-63-0.mol
[Molecular Weight]

256.64
Chemical PropertiesBack Directory
[Boiling point ]

521.4±50.0 °C(Predicted)
[density ]

1.539±0.06 g/cm3(Predicted)
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

powder
[pka]

2.13±0.40(Predicted)
[color ]

Off-white
Safety DataBack Directory
[HS Code ]

2932209090
Hazard InformationBack Directory
[Uses]

(R)-Ochratoxin α is an intermediate in the synthesis of Ochratoxin A (O148490). Ochratoxins are toxic metabolites from Aspergillus ochraceus. Also they are environmental and food contaminants.
[Definition]

ChEBI: Ochratoxin alpha is a member of the class of isocoumarins that is 1-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid carrying additional methyl, chloro and hydroxy substituents at positions 3, 5 and 8 respectively. A non-toxic metabolite of the mycotoxin ochratoxin A. It has a role as a bacterial xenobiotic metabolite, a human urinary metabolite, a human xenobiotic metabolite and a marine xenobiotic metabolite. It is a member of isochromanes, a member of isocoumarins, an organochlorine compound, a member of phenols and a member of benzoic acids. It is a conjugate acid of an ochratoxin alpha(1-).
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