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Substance Name: Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl-
RN: 40912-89-8
InChIKey: OXERTUUKTZDQPG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-Br-N-O2

Molecular Weight

  • 286.167
 
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Names and Synonyms

Synonyms

  • 5-Bromo-N-butyl-2-hydroxy-3-methylbenzamide
  • BRN 2102432

Systematic Name

  • Benzamide, 5-bromo-N-butyl-2-hydroxy-3-methyl-

Registry Numbers

CAS Registry Number

  • 40912-89-8

System Generated Number

  • 0040912898

Structure Descriptors

InChI

1S/C12H16BrNO2/c1-3-4-5-14-12(16)10-7-9(13)6-8(2)11(10)15/h6-7,15H,3-5H2,1-2H3,(H,14,16)

InChIKey

OXERTUUKTZDQPG-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/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) 4.21 (none)   EXP
Water Solubility 14.3 mg/L 25 EST
Vapor Pressure 1.67E-08 mm Hg 25 EST
Henry's Law Constant 6.55E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.41E-11 cm3/molecule-sec 25 EST

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