Ochratoxin A

• Synonyms:

  Alanine, N-[(5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl]-3-phenyl-, (-)- (8CI); L-Phenylalanine, N-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-, (R)-; Ochratoxin A (7CI); N-[[(3R)-5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine; (R)-N-[(5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-benzo[c]pyran-7-yl)carbonyl]-3-phenylalanine; 3R,14S-Ochratoxin A; NSC 201422; NSC 221991; Phe-OTA; Phenylalanine-ochratoxin A

• Hazard Statement:

  Fatal if swallowed; UN number: UN3462; Packing Group: II

• Purity:

  >95% (HPLC)

• Smiles:

  C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1

• Molecular Formula:

  C20 H18 Cl N O6

• Molecular Weight:

  403.81

• InChI:

  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

• Additionnal Information:

  IUPAC name: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid

• Shipping Conditions:

  Room Temperature

• Storage Conditions:

  -20°C

• CAS Number:

  303-47-9