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Substance Name: E 4701
RN: 107580-00-7
InChIKey: ILSCSWSCKLXHMV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H8-N2-O8

Molecular Weight

  • 272.168
 
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Names and Synonyms

Name of Substance

  • E 4701

Synonyms

  • 2,3-Dihydro-8-hydroxy-7-nitro-1H-benzodioxin-2-methanol alpha-nitrate
  • 8-Hydroxy-2-nitromethyl-7-nitro-1,4-benzodioxane
  • E 4701

Systematic Names

  • 1,4-Benzodioxin-2-methanol, 2,3-dihydro-8-hydroxy-7-nitro-, alpha-nitrate
  • 1H-Benzodioxin-2-methanol, 2,3-dihydro-8-hydroxy-7-nitro-, alpha-nitrate

Registry Numbers

CAS Registry Number

  • 107580-00-7

System Generated Number

  • 0107580007

Structure Descriptors

InChI

1S/C9H8N2O8/c12-8-6(10(13)14)1-2-7-9(8)19-5(3-17-7)4-18-11(15)16/h1-2,5,12H,3-4H2

InChIKey

ILSCSWSCKLXHMV-UHFFFAOYSA-N

Smiles

O1[C@@H](COc2c1c(c(cc2)[N+](=O)[O-])O)CO[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4794118,
mouse LD50 oral 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4794118,