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Substance Name: Methanone, (5-chloro-2-((2-(1H-imidazol-2-ylthio)ethyl)amino)phenyl)phenyl-
RN: 128433-28-3
InChIKey: WNSQHSJRTWQNFK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-Cl-N3-O-S

Molecular Weight

  • 357.8634
 
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Names and Synonyms

Synonyms

  • (5-Chloro-2-((2-(1H-imidazol-2-ylthio)ethyl)amino)phenyl)phenylmethanone
  • 1-(2-Imidazolylthio)-2-((2-benzoyl-4-chloro)anilino)ethane

Systematic Name

  • Methanone, (5-chloro-2-((2-(1H-imidazol-2-ylthio)ethyl)amino)phenyl)phenyl-

Registry Numbers

CAS Registry Number

  • 128433-28-3

System Generated Number

  • 0128433283

Structure Descriptors

InChI

1S/C18H16ClN3OS/c19-14-6-7-16(20-10-11-24-18-21-8-9-22-18)15(12-14)17(23)13-4-2-1-3-5-13/h1-9,12,20H,10-11H2,(H,21,22)

InChIKey

WNSQHSJRTWQNFK-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)c2cc(ccc2NCCSc3[nH]ccn3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #5025015,