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Substance Name: Brosotamide [INN:DCF]
RN: 40912-73-0
UNII: 49NMI30XY2
InChIKey: KEYYFWXKFRRLOZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H8-Br-N-O2

Molecular Weight

  • 230.06
 
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Names and Synonyms

Name of Substance

  • Brosotamide [INN:DCF]

Synonyms

  • 0-10-00-00224 (Beilstein Handbook Reference)
  • 5-Brom-2-hydroxy-3-toluylamid
  • 5-Bromo-2,3-cresotamide
  • 5-Bromo-2-hydroxy-3-methylbenzamide
  • BRN 2091967
  • Brosotamida
  • Brosotamida [INN-Spanish]
  • Brosotamide
  • Brosotamidum
  • Brosotamidum [INN-Latin]
  • Lefadol
  • UNII-49NMI30XY2

Systematic Names

  • 5-Bromo-2,3-cresotamide
  • Benzamide, 5-bromo-2-hydroxy-3-methyl-

Registry Numbers

CAS Registry Number

  • 40912-73-0

FDA UNII

  • 49NMI30XY2

System Generated Number

  • 0040912730

Structure Descriptors

InChI

1S/C8H8BrNO2/c1-4-2-5(9)3-6(7(4)11)8(10)12/h2-3,11H,1H3,(H2,10,12)

InChIKey

KEYYFWXKFRRLOZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500mg/kg (1500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 629, 1975.
mouse LD50 oral 5gm/kg (5000mg/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) 2.76 (none)   EXP
Water Solubility 508 mg/L 25 EST
Vapor Pressure 3.78E-07 mm Hg 25 EST
Henry's Law Constant 1.28E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.21E-12 cm3/molecule-sec 25 EST

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