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Substance Name: 1-Nitropyrene-9,10-oxide
RN: 105596-43-8
InChIKey: LMLNXNLVGAZZPV-UHFFFAOYSA-N

Note

  • Microsomal metabolite of 1-nitropyrene.

Classification Code

  • Mutation Data

Molecular Formula

  • C16-H9-N-O3

Molecular Weight

  • 263.251
 
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Names and Synonyms

Name of Substance

  • 1-Nitropyrene-9,10-oxide

Synonyms

  • 1-Nitropyrene 9,10-oxide
  • 1-Nitropyrene-9,10-oxide
  • 8b,9a-Dihydro-1-nitropyreno(4,5-b)oxirene
  • CCRIS 2127
  • Pyrene, 4,5-dihydro-4,5-epoxy-3-nitro-

Systematic Names

  • 1-Nitropyrene 9,10-oxide
  • Pyreno(4,5-b)oxirene, 8b,9a-dihydro-1-nitro-

Registry Numbers

CAS Registry Number

  • 105596-43-8

System Generated Number

  • 0105596438

Structure Descriptors

InChI

1S/C16H9NO3/c18-17(19)11-7-6-9-5-4-8-2-1-3-10-12(8)13(9)14(11)16-15(10)20-16/h1-7,15-16H

InChIKey

LMLNXNLVGAZZPV-UHFFFAOYSA-N

Smiles

c1ccc2c3c1[C@@H]1[C@@H](c4c(ccc(cc2)c34)[N+]([O-])=O)O1