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Substance Name: Benzamide, 5-bromo-2-hydroxy-3-methyl-N-(1-methylethyl)-
RN: 58708-45-5
InChIKey: GAWAJYQYGZLYDZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-Br-N-O2

Molecular Weight

  • 272.141
 
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Names and Synonyms

Synonyms

  • 5-Bromo-2-hydroxy-3-methyl-N-(1-methylethyl)benzamide
  • BRN 2100366

Systematic Name

  • Benzamide, 5-bromo-2-hydroxy-3-methyl-N-(1-methylethyl)-

Registry Numbers

CAS Registry Number

  • 58708-45-5

System Generated Number

  • 0058708455

Structure Descriptors

InChI

1S/C11H14BrNO2/c1-6(2)13-11(15)9-5-8(12)4-7(3)10(9)14/h4-6,14H,1-3H3,(H,13,15)

InChIKey

GAWAJYQYGZLYDZ-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1)Br)C)O)C(NC(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 560mg/kg (560mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 629, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.19 (none)   EXP
Water Solubility 17.8 mg/L 25 EST
Vapor Pressure 6.54E-08 mm Hg 25 EST
Henry's Law Constant 4.93E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.50E-11 cm3/molecule-sec 25 EST

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