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Substance Name: 5-Quinolinesulfonic acid, 8-hydroxy-7-((beta-hydroxy-alpha-oxo-p-phenyl)phenethylamino)-, hydrate
RN: 63680-67-1
InChIKey: DSQNZLGIIFFTIR-UHFFFAOYSA-N

Molecular Formula

  • C23-H18-N2-O6-S.H2-O

Molecular Weight

  • 468.484
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 63680-67-1

System Generated Number

  • 0063680671

Molecular Formulas

Molecular Formula

  • C23-H18-N2-O6-S.H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C23H18N2O6S.H2O/c26-21(16-10-8-15(9-11-16)14-5-2-1-3-6-14)23(28)25-18-13-19(32(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

DSQNZLGIIFFTIR-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2ccc(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 1200mg/kg (1200mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 380, 1970.