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Substance Name: 2-p-Sulfanilylanilinoethanol
RN: 80-02-4
UNII: 2G7D83186S
InChIKey: LLBKEUTWJFQRJU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-N2-O3-S

Molecular Weight

  • 292.357
 
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Names and Synonyms

Name of Substance

  • 2-p-Sulfanilylanilinoethanol

Synonyms

  • 2-(4-Sulfanilylanilino)ethanol
  • 2-(p-Sulfanilylanilino)ethanol
  • 4-13-00-01326 (Beilstein Handbook Reference)
  • 4-Amino-4'-(beta-hydroxyethylamino)diphenyl sulfone
  • 4-Amino-4'-beta-hydroxyethylamino diphenylsulfone
  • BRN 3059614
  • Ethanol, 2-((4-((4-aminophenyl)sulfonyl)phenyl)amino)-
  • NSC 12982
  • Proethyl
  • Smith's sulfone
  • UNII-2G7D83186S

Systematic Names

  • Ethanol, 2-((4-((4-aminophenyl)sulfonyl)phenyl)amino)- (9CI)
  • Ethanol, 2-(p-sulfanilylanilino)-

Registry Numbers

CAS Registry Number

  • 80-02-4

FDA UNII

  • 2G7D83186S

System Generated Number

  • 0000080024

Structure Descriptors

InChI

1S/C14H16N2O3S/c15-11-1-5-13(6-2-11)20(18,19)14-7-3-12(4-8-14)16-9-10-17/h1-8,16-17H,9-10,15H2

InChIKey

LLBKEUTWJFQRJU-UHFFFAOYSA-N

Smiles

c1(S(c2ccc(N)cc2)(=O)=O)ccc(NCCO)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 20gm/kg (20000mg/kg)   Therapie. Vol. 6, Pg. 251, 1951.
mouse LD50 subcutaneous > 4gm/kg (4000mg/kg)   American Review of Tuberculosis. Vol. 60, Pg. 62, 1949.
rat LD50 oral > 4gm/kg (4000mg/kg)   American Review of Tuberculosis. Vol. 60, Pg. 62, 1949.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 131 deg C   EXP
log P (octanol-water) 0.350 (none)   EST
Water Solubility 740 mg/L 37 EXP
Atmospheric OH Rate Constant 4.70E-11 cm3/molecule-sec 25 EST

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