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Substance Name: Gentisamide
RN: 52405-73-9
InChIKey: FRXZIFVYTNMCHF-UHFFFAOYSA-N

Note

  • Metabolite of salicylamides.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H7-N-O3

Molecular Weight

  • 153.136
 
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Names and Synonyms

Name of Substance

  • Gentisamide

Synonyms

  • 4-10-00-01448 (Beilstein Handbook Reference)
  • 5-Hydroxysalicylamide
  • BRN 2640803
  • EINECS 257-895-8

Systematic Names

  • 2,5-Dihydroxybenzamide
  • Salicylamide, 5-hydroxy-

Registry Numbers

CAS Registry Number

  • 52405-73-9

System Generated Number

  • 0052405739

Structure Descriptors

InChI

1S/C7H7NO3/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3,9-10H,(H2,8,11)

InChIKey

FRXZIFVYTNMCHF-UHFFFAOYSA-N

Smiles

c1(C(=O)N)c(ccc(c1)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 900mg/kg (900mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 108, Pg. 450, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.550 (none)   EST
Water Solubility 3180 mg/L 22 EXP
Atmospheric OH Rate Constant 2.32E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.