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Substance Name: Ochratoxin A sodium
RN: 89930-55-2
UNII: LU2A4O8EY3
InChIKey: HXNIIXUGQQXXLM-UHFFFAOYSA-M

Classification Code

  • Reproductive Effect

Molecular Formula

  • C20-H18-Cl-N-O6.Na

Molecular Weight

  • 425.798
 
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Names and Synonyms

Results Name

  • Ochratoxin A sodium

Name of Substance

  • Ochratoxin A sodium

Synonyms

  • Ochratoxin A sodium salt
  • UNII-LU2A4O8EY3

Systematic Name

  • Alanine, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-, sodium salt, (-)-

Registry Numbers

CAS Registry Number

  • 89930-55-2

FDA UNII

  • LU2A4O8EY3

System Generated Number

  • 0089930552

Molecular Formulas

Molecular Formula

  • C20-H18-Cl-N-O6.Na

Molecular Formula Fragments

  • C20-H18-Cl-N-O6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H18ClNO6.Na/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);/q;+1/p-1

InChIKey

HXNIIXUGQQXXLM-UHFFFAOYSA-M

Smiles

c12c(c(c(C(N[C@@H](Cc3ccccc3)C(=O)[O-])=O)cc1Cl)O)C(O[C@@H](C2)C)=O.[Na+]