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Substance Name: Butyric acid, 4-nitro-, methyl ester
RN: 13013-02-0
InChIKey: UBSPKGKFFQKZJB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H9-N-O4

Molecular Weight

  • 147.129
 
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Names and Synonyms

Synonyms

  • 4-02-00-00840 (Beilstein Handbook Reference)
  • 4-Nitrobutyric acid methyl ester
  • BRN 1766154
  • EINECS 235-866-0
  • Methyl 4-nitrobutyrate
  • NSC 126459

Systematic Names

  • Butanoic acid, 4-nitro-, methyl ester (9CI)
  • Butyric acid, 4-nitro-, methyl ester
  • Methyl 4-nitrobutyrate

Registry Numbers

CAS Registry Number

  • 13013-02-0

System Generated Number

  • 0013013020

Structure Descriptors

InChI

1S/C5H9NO4/c1-10-5(7)3-2-4-6(8)9/h2-4H2,1H3

InChIKey

UBSPKGKFFQKZJB-UHFFFAOYSA-N

Smiles

C(CCC[N+](=O)[O-])(OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 1gm/kg (1000mg/kg)   Farmakologiya i Toksikologiya Vol. 30, Pg. 56, 1967.