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Substance Name: Benzamide, 5-bromo-N-ethyl-2-hydroxy-3-methyl-
RN: 40912-88-7
InChIKey: YPWPVPLDLYIPNI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H12-Br-N-O2

Molecular Weight

  • 258.114
 
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Names and Synonyms

Synonyms

  • 5-Bromo-N-ethyl-2-hydroxy-3-methylbenzamide
  • BRN 2093815

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 40912-88-7

System Generated Number

  • 0040912887

Structure Descriptors

InChI

1S/C10H12BrNO2/c1-3-12-10(14)8-5-7(11)4-6(2)9(8)13/h4-5,13H,3H2,1-2H3,(H,12,14)

InChIKey

YPWPVPLDLYIPNI-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2150mg/kg (2150mg/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) 3.61 (none)   EXP
Water Solubility 67 mg/L 25 EST
Vapor Pressure 9.14E-08 mm Hg 25 EST
Henry's Law Constant 3.72E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.07E-11 cm3/molecule-sec 25 EST

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