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Substance Name: Methanethiol, (N-cyclohexylbutyl)amidino-, hydrogen thiosulfate
RN: 40283-59-8
InChIKey: AYXXZCZXYOGKNY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H24-N2-O3-S2

Molecular Weight

  • 308.465
 
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Names and Synonyms

Synonyms

  • BRN 3975892
  • NSC 194282
  • S-((N-Cyclohexylbutylamidino)methyl) hydrogen thiosulfate

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 40283-59-8

System Generated Number

  • 0040283598

Structure Descriptors

InChI

1S/C12H24N2O3S2/c13-12(10-18-19(15,16)17)14-9-5-4-8-11-6-2-1-3-7-11/h11H,1-10H2,(H2,13,14)(H,15,16,17)

InChIKey

AYXXZCZXYOGKNY-UHFFFAOYSA-N

Smiles

S(SCC(=N)NCCCCC1CCCCC1)(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 22mg/kg (22mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.