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Substance Name: Benzenesulfonic acid, 5-(benzoyloxy)-2-hydroxy-, compd. with diethylamine (1:1)
RN: 59687-32-0
InChIKey: BHUBBIHETTWEET-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-O6-S.C4-H11-N

Molecular Weight

  • 367.4199
 
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Names and Synonyms

Synonym

  • 5-(Benzoyloxy)-2-hydroxybenzenesulfonic acid compd. with diethylamine (1:1)

Systematic Name

  • Benzenesulfonic acid, 5-(benzoyloxy)-2-hydroxy-, compd. with diethylamine (1:1)

Registry Numbers

CAS Registry Number

  • 59687-32-0

System Generated Number

  • 0059687320

Molecular Formulas

Molecular Formula

  • C13-H10-O6-S.C4-H11-N

Molecular Formula Fragments

  • C13-H10-O6-S
  • C4-H11-N
  • COMPONENT

Structure Descriptors

InChI

1S/C13H10O6S.C4H11N/c14-11-7-6-10(8-12(11)20(16,17)18)19-13(15)9-4-2-1-3-5-9;1-3-5-4-2/h1-8,14H,(H,16,17,18);5H,3-4H2,1-2H3

InChIKey

BHUBBIHETTWEET-UHFFFAOYSA-N

Smiles

CCNCC.c1ccc(cc1)C(=O)Oc2ccc(c(c2)S(=O)(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4500mg/kg (4500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 43, 1976.