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Substance Name: 1-Nitropyrene-4,5-oxide
RN: 105596-42-7
UNII: EA18JIE48O
InChIKey: HSGLBAJOUBFGPZ-JKSUJKDBSA-N

Note

  • Microsomal meabolite of 1-nitropyrene.

Classification Code

  • Mutation Data

Molecular Formula

  • C16-H9-N-O3

Molecular Weight

  • 263.2511
 
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Names and Synonyms

Name of Substance

  • 1-Nitropyrene-4,5-oxide

Synonyms

  • 1-Nitropyrene 4,5-oxide
  • 1-Nitropyrene-4,5-oxide
  • 8b,9a-Dihydro-3-nitropyreno(4,5-b)oxirene
  • CCRIS 2126
  • Pyrene, 4,5-dihydro-4,5-epoxy-1-nitro-
  • UNII-EA18JIE48O

Systematic Names

  • 1-Nitropyrene 4,5-oxide
  • Pyreno(4,5-b)oxirene, 8b,9a-dihydro-3-nitro-

Registry Numbers

CAS Registry Number

  • 105596-42-7

FDA UNII

  • EA18JIE48O

System Generated Number

  • 0105596427

Structure Descriptors

InChI

1S/C16H9NO3/c18-17(19)12-7-6-11-14-9(12)5-4-8-2-1-3-10(13(8)14)15-16(11)20-15/h1-7,15-16H/t15-,16+/m0/s1

InChIKey

HSGLBAJOUBFGPZ-JKSUJKDBSA-N

Smiles

[O-][N+](=O)c1ccc2[C@H]3O[C@H]3c4cccc5ccc1c2c45