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Substance Name: Isothiuronium
RN: 22584-04-9
InChIKey: INDZTCRIYSRWOH-UHFFFAOYSA-N

Note

  • An undecenyl THIOUREA which may have topical anti-inflammatory activity.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H24-N2-S.H-I

Molecular Weight

  • 356.31
 
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Names and Synonyms

Name of Substance

  • Isothiuronium

MeSH Heading

  • Isothiuronium

Synonyms

  • 2-(10-Undecen-1-yl)-2-thiopseudourea monohydroiodide
  • AHR 1911
  • EINECS 245-108-0
  • Isothiouronium iodide salt
  • NSC 297328

Systematic Names

  • 2-Undec-10-enylisothiouronium iodide
  • Carbamimidothioic acid, 10-undecenyl ester, monohydriodide
  • Carbamimidothioic acid, 10-undecenyl ester, monohydroiodide (9CI)
  • Pseudourea, 2-thio-2-(10-undecenyl)-, monohydriodide

Registry Numbers

CAS Registry Number

  • 22584-04-9

System Generated Number

  • 0022584049

Molecular Formulas

Molecular Formula

  • C12-H24-N2-S.H-I

Molecular Formula Fragments

  • C12-H24-N2-S
  • COMPONENT
  • H-I

Structure Descriptors

InChI

1S/C12H24N2S.HI/c1-2-3-4-5-6-7-8-9-10-11-15-12(13)14;/h2H,1,3-11H2,(H3,13,14);1H

InChIKey

INDZTCRIYSRWOH-UHFFFAOYSA-N

Smiles

C(CCCCCCCC=C)CSC(N)=N.I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Drugs of the Future. Vol. 2, Pg. 426, 1977.
mouse LD50 oral 950mg/kg (950mg/kg)   Drugs of the Future. Vol. 2, Pg. 426, 1977.