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Substance Name: 5-Quinolinesulfonic acid, 8-hydroxy-7-((beta-hydroxy-p-nitro-alpha-oxo)phenethylamino)-, trihydrate
RN: 63680-64-8
InChIKey: YMOHQCIVLNQJJA-UHFFFAOYSA-N

Molecular Formula

  • C17-H13-N3-O8-S.3H2-O

Molecular Weight

  • 473.413
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 63680-64-8

System Generated Number

  • 0063680648

Molecular Formulas

Molecular Formula

  • C17-H13-N3-O8-S.3H2-O

Molecular Formula Fragments

  • C17-H13-N3-O8-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H13N3O8S.3H2O/c21-15(9-3-5-10(6-4-9)20(24)25)17(23)19-12-8-13(29(26,27)28)11-2-1-7-18-14(11)16(12)22;;;/h1-8,15,21-22H,(H,19,23)(H,26,27,28);3*1H2

InChIKey

YMOHQCIVLNQJJA-UHFFFAOYSA-N

Smiles

S(c1c2c(nccc2)c(c(c1)NC([C@@H](c1ccc([N+]([O-])=O)cc1)O)=O)O)(=O)(=O)O.O.O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 380, 1970.