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Substance Name: Ochratoxin C
RN: 4865-85-4
UNII: 0DY21HW450
InChIKey: BPZZWRPHVVDAPT-PXAZEXFGSA-N

Note

  • Converted into ochratoxin A in vivo.

Molecular Formula

  • C22-H22-Cl-N-O6

Molecular Weight

  • 431.87
 
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Names and Synonyms

Name of Substance

  • Ochratoxin C

Synonyms

  • Alanine, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-, ethyl ester, L-
  • HSDB 3439
  • L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, ethyl ester, (R)-
  • Ochratoxin A ethyl ester
  • Ochratoxin C
  • UNII-0DY21HW450

Systematic Name

  • L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, ethyl ester, (R)-

Registry Numbers

CAS Registry Number

  • 4865-85-4

FDA UNII

  • 0DY21HW450

System Generated Number

  • 0004865854

Structure Descriptors

InChI

1S/C22H22ClNO6/c1-3-29-21(27)17(10-13-7-5-4-6-8-13)24-20(26)15-11-16(23)14-9-12(2)30-22(28)18(14)19(15)25/h4-8,11-12,17,25H,3,9-10H2,1-2H3,(H,24,26)/t12-,17+/m1/s1

InChIKey

BPZZWRPHVVDAPT-PXAZEXFGSA-N

Smiles

C([C@@H](C(OCC)=O)NC(c1c(c2c(c(c1)Cl)C[C@@H](C)OC2=O)O)=O)c1ccccc1