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Substance Name: 1-Naphthalenesulfonic acid, 4-(3-(p-butoxyphenyl)-2-thioureido)-, sodium salt
RN: 33326-68-0
InChIKey: SQTDWEJXWFWXTN-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-N2-O4-S2.Na

Molecular Weight

  • 452.529
 
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Names and Synonyms

Synonyms

  • 4-(3-(p-Butoxyphenyl)-2-thioureido)-1-naphthalenesulfonic acid sodium salt
  • N-(1-Sulfo-4-naphthyl)-N'-p-butoxyphenylthiourea sodium salt

Systematic Name

  • 1-Naphthalenesulfonic acid, 4-(3-(p-butoxyphenyl)-2-thioureido)-, sodium salt

Registry Numbers

CAS Registry Number

  • 33326-68-0

System Generated Number

  • 0033326680

Molecular Formulas

Molecular Formula

  • C21-H21-N2-O4-S2.Na

Molecular Formula Fragments

  • C21-H21-N2-O4-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H22N2O4S2.Na/c1-2-3-14-27-16-10-8-15(9-11-16)22-21(28)23-19-12-13-20(29(24,25)26)18-7-5-4-6-17(18)19;/h4-13H,2-3,14H2,1H3,(H2,22,23,28)(H,24,25,26);/q;+1/p-1

InChIKey

SQTDWEJXWFWXTN-UHFFFAOYSA-M

Smiles

c12c(c(ccc1S(=O)(=O)[O-])NC(Nc1ccc(OCCCC)cc1)=S)cccc2.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 280mg/kg (280mg/kg) IMMUNOLOGICAL INCLUDING ALLERGIC: INCREASED IMMUNE RESPONSE Pharmaceutical Chemistry Journal Vol. 6, Pg. 86, 1972.