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Substance Name: Ochratoxin B
RN: 4825-86-9
UNII: ECJ5WS94N2
InChIKey: DAEYIVCTQUFNTM-ABAIWWIYSA-N

Classification Codes

  • Mutation Data
  • Natural Product

Molecular Formula

  • C20-H19-N-O6

Molecular Weight

  • 369.371
 
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Names and Synonyms

Name of Substance

  • Ochratoxin B

Synonyms

  • Alanine, N-((8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-, (-)-
  • BRN 1300160
  • CCRIS 5094
  • HSDB 3438
  • L-Phenylalanine, N-((3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)-
  • Ochratoxin B
  • UNII-ECJ5WS94N2

Systematic Names

  • Alanine, N-((8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-, (-)-
  • L-Phenylalanine, N-(((3R)-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-
  • Ochratoxin B

Registry Numbers

CAS Registry Number

  • 4825-86-9

FDA UNII

  • ECJ5WS94N2

System Generated Number

  • 0004825869

Structure Descriptors

InChI

1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/t11-,15+/m1/s1

InChIKey

DAEYIVCTQUFNTM-ABAIWWIYSA-N

Smiles

c12c(ccc(c1O)C(N[C@@H](Cc1ccccc1)C(O)=O)=O)C[C@@H](C)OC2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 54mg/kg (54mg/kg)   Applied Microbiology. Vol. 21, Pg. 492, 1971.