Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Methanethiol, N-(4-phenoxybutyl)amidino-, hydrogen thiosulfate
RN: 40283-90-7
InChIKey: GKOYNKLWWVOIMC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N2-O4-S2

Molecular Weight

  • 318.416
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • NSC 187513
  • S-((N-(4-Phenoxybutyl)amidino)methyl) hydrogen thiosulfate

Systematic Names

  • Methanethiol, N-(4-phenoxybutyl)amidino-, hydrogen thiosulfate
  • Thiosulfuric acid (H2S2O3), S-(2-imino-2-((4-phenoxybutyl)amino)ethyl) ester (9CI)

Registry Numbers

CAS Registry Number

  • 40283-90-7

System Generated Number

  • 0040283907

Structure Descriptors

InChI

1S/C12H18N2O4S2/c13-12(10-19-20(15,16)17)14-8-4-5-9-18-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,13,14)(H,15,16,17)

InChIKey

GKOYNKLWWVOIMC-UHFFFAOYSA-N

Smiles

S(SCC(=N)NCCCCOc1ccccc1)(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.