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Substance Name: 2-Hexanoyloxybenzoic acid
RN: 5325-85-9
UNII: UI3HD3CNX8
InChIKey: HJGHIUCZKMIOLV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-O4

Molecular Weight

  • 236.265
 
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Names and Synonyms

Name of Substance

  • 2-Hexanoyloxybenzoic acid

Synonyms

  • 3-10-00-00105 (Beilstein Handbook Reference)
  • Benzoic acid, 2-((1-oxohexyl)oxy)-
  • BRN 2977908
  • NSC 223
  • UNII-UI3HD3CNX8

Systematic Name

  • Salicylic acid, hexanoate

Registry Numbers

CAS Registry Number

  • 5325-85-9

FDA UNII

  • UI3HD3CNX8

System Generated Number

  • 0005325859

Structure Descriptors

InChI

1S/C13H16O4/c1-2-3-4-9-12(14)17-11-8-6-5-7-10(11)13(15)16/h5-8H,2-4,9H2,1H3,(H,15,16)

InChIKey

HJGHIUCZKMIOLV-UHFFFAOYSA-N

Smiles

c1(C(=O)O)c(OC(=O)CCCCC)cccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1600mg/kg (1600mg/kg) BEHAVIORAL: ANALGESIA Journal of Pharmacobio-Dynamics. Vol. 2, Pg. 229, 1979.