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Substance Name: Benzenesulfonic acid, p-(3-(p-(pentyloxy)phenyl)-2-thioureido)-, sodium salt
RN: 22938-51-8
InChIKey: WLBIDACQNGHBDD-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N2-O4-S2.Na

Molecular Weight

  • 416.496
 
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Names and Synonyms

Synonyms

  • 4-Sulfo-4'-pentyloxythiocarbanilide sodium salt
  • p-(3-(p-(Pentyloxy)phenyl)-2-thioureido)benzenesulfonic acid sodium salt

Systematic Name

  • Benzenesulfonic acid, p-(3-(p-(pentyloxy)phenyl)-2-thioureido)-, sodium salt

Registry Numbers

CAS Registry Number

  • 22938-51-8

System Generated Number

  • 0022938518

Molecular Formulas

Molecular Formula

  • C18-H21-N2-O4-S2.Na

Molecular Formula Fragments

  • C18-H21-N2-O4-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H22N2O4S2.Na/c1-2-3-4-13-24-16-9-5-14(6-10-16)19-18(25)20-15-7-11-17(12-8-15)26(21,22)23;/h5-12H,2-4,13H2,1H3,(H2,19,20,25)(H,21,22,23);/q;+1/p-1

InChIKey

WLBIDACQNGHBDD-UHFFFAOYSA-M

Smiles

[Na+].c1(ccc(cc1)NC(=S)Nc1ccc(cc1)OCCCCC)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 960mg/kg (960mg/kg) IMMUNOLOGICAL INCLUDING ALLERGIC: INCREASED IMMUNE RESPONSE Pharmaceutical Chemistry Journal Vol. 6, Pg. 86, 1972.