Ochratoxin α

CAS Registry Number®

19165-63-0

CAS Name

Ochratoxin α

Molecular Formula

C11H9ClO5

Molecular Mass

256.64

Cite this Page

Ochratoxin α.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19165-63-0 (retrieved 2024-11-21) (CAS RN: 19165-63-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H9ClO5/c1-4-2-5-7(12)3-6(10(14)15)9(13)8(5)11(16)17-4/h3-4,13H,2H2,1H3,(H,14,15)/t4-/m1/s1

InChIKey

InChIKey=OSFWJKYWJMZKSM-SCSAIBSYSA-N

SMILES

ClC1=C2C(=C(O)C(C(O)=O)=C1)C(=O)O[C@H](C)C2

Canonical SMILES

O=C(O)C1=CC(Cl)=C2C(C(=O)OC(C)C2)=C1O

Other Names for this Substance

  • 1H-2-Benzopyran-7-carboxylic acid, 5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-, (3R)-
  • 7-Isochromancarboxylic acid, 5-chloro-8-hydroxy-3-methyl-1-oxo-, (R)-
  • 1H-2-Benzopyran-7-carboxylic acid, 5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-, (R)-
  • (3R)-5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-carboxylic acid
  • 7-Carboxy-5-chloro-8-hydroxy-3,4-dihydro-3R-methylisocoumarin

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Deleted or Replaced CAS Registry Numbers

4825-88-1, 39405-95-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration