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Substance Name: Benzoic acid, 3-nitro-, 2,3-dihydroxypropyl ester
RN: 51928-82-6
InChIKey: DEPIJCMSSIVPDJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H11-N-O6

Molecular Weight

  • 241.198
 
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Names and Synonyms

Synonyms

  • 3-(beta,gamma-Dihydroxypropoxycarbonyl)nitrobenzene
  • 3-Nitrobenzoic acid 2,3-dihydroxypropyl ester
  • BRN 2139961

Systematic Name

  • Benzoic acid, 3-nitro-, 2,3-dihydroxypropyl ester

Registry Numbers

CAS Registry Number

  • 51928-82-6

System Generated Number

  • 0051928826

Structure Descriptors

InChI

1S/C10H11NO6/c12-5-9(13)6-17-10(14)7-2-1-3-8(4-7)11(15)16/h1-4,9,12-13H,5-6H2

InChIKey

DEPIJCMSSIVPDJ-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)[N+](=O)[O-])C(OC[C@@H](CO)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   Acta Pharmaceutica Jugoslavica. Vol. 24, Pg. 1, 1974.
mouse LD50 oral 2gm/kg (2000mg/kg) BEHAVIORAL: ANALGESIA Acta Pharmaceutica Jugoslavica. Vol. 24, Pg. 1, 1974.