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Substance Name: 5-Quinolinesulfonic acid, 8-hydroxy-7-((beta-hydroxy-alpha-oxo-p-phenylthio)phenethylamino)-, hydrate
RN: 63680-68-2
InChIKey: OKQBQBXKQZMEOL-UHFFFAOYSA-N

Molecular Formula

  • C23-H18-N2-O6-S2.H2-O

Molecular Weight

  • 500.55
 
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Names and Synonyms

  • 5-Quinolinesulfonic acid, 8-hydroxy-7-((beta-hydroxy-alpha-oxo-p-phenylthio)phenethylamino)-, hydrate

Registry Numbers

CAS Registry Number

  • 63680-68-2

System Generated Number

  • 0063680682

Molecular Formulas

Molecular Formula

  • C23-H18-N2-O6-S2.H2-O

Molecular Formula Fragments

  • C23-H18-N2-O6-S2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H18N2O6S2.H2O/c26-21(14-8-10-16(11-9-14)32-15-5-2-1-3-6-15)23(28)25-18-13-19(33(29,30)31)17-7-4-12-24-20(17)22(18)27;/h1-13,21,26-27H,(H,25,28)(H,29,30,31);1H2

InChIKey

OKQBQBXKQZMEOL-UHFFFAOYSA-N

Smiles

c1ccc(cc1)Sc2ccc(cc2)C(C(=O)Nc3cc(c4cccnc4c3O)S(=O)(=O)O)O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 380, 1970.