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Substance Name: Benzenesulfonic acid, 2,5-bis(benzoyloxy)-, compd. with N-ethylethanamine (1:1)
RN: 55779-20-9
InChIKey: PIQPXRSYRHNGJH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H14-O7-S.C4-H11-N

Molecular Weight

  • 471.5275
 
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Names and Synonyms

Synonyms

  • 2,5-Bis(benzoyloxy)benzenesulfonic acid compd. with N-ethyl ethanamine (1:1)
  • Diethylamine 2,5-dihydroxybenzenesulfonate dibenzoate

Systematic Name

  • Benzenesulfonic acid, 2,5-bis(benzoyloxy)-, compd. with N-ethylethanamine (1:1)

Registry Numbers

CAS Registry Number

  • 55779-20-9

System Generated Number

  • 0055779209

Molecular Formulas

Molecular Formula

  • C20-H14-O7-S.C4-H11-N

Molecular Formula Fragments

  • C20-H14-O7-S
  • C4-H11-N
  • COMPONENT

Structure Descriptors

InChI

1S/C20H14O7S.C4H11N/c21-19(14-7-3-1-4-8-14)26-16-11-12-17(18(13-16)28(23,24)25)27-20(22)15-9-5-2-6-10-15;1-3-5-4-2/h1-13H,(H,23,24,25);5H,3-4H2,1-2H3

InChIKey

PIQPXRSYRHNGJH-UHFFFAOYSA-N

Smiles

CCNCC.c1ccc(cc1)C(=O)Oc2ccc(c(c2)S(=O)(=O)O)OC(=O)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 14gm/kg (14000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 43, 1976.