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Substance Name: Ochratoxin A methyl ester
RN: 16281-44-0
UNII: 416NR395EK
InChIKey: IHPSAIGCKPYNDR-BZNIZROVSA-N

Molecular Weight

  • 417.843
 
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Names and Synonyms

Name of Substance

  • Ochratoxin A methyl ester

Synonyms

  • Alanine, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-, methyl ester, l-
  • L-Phenylalanine, N-(((3R)-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, methyl ester
  • L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, methyl ester, (R)-
  • UNII-416NR395EK

Registry Numbers

CAS Registry Number

  • 16281-44-0

FDA UNII

  • 416NR395EK

System Generated Number

  • 0016281440

Structure Descriptors

InChI

1S/C21H20ClNO6/c1-11-8-13-15(22)10-14(18(24)17(13)21(27)29-11)19(25)23-16(20(26)28-2)9-12-6-4-3-5-7-12/h3-7,10-11,16,24H,8-9H2,1-2H3,(H,23,25)/t11-,16+/m1/s1

InChIKey

IHPSAIGCKPYNDR-BZNIZROVSA-N

Smiles

C([C@@H](NC(=O)c1c(c2c(C[C@H](OC2=O)C)c(c1)Cl)O)Cc1ccccc1)(=O)OC