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Substance Name: Methanethiol, (N-cyclohexyl)amidino-, hydrogen sulfate (ester)
RN: 40283-55-4
InChIKey: DSKDIOZEEJPDAJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H16-N2-O3-S2

Molecular Weight

  • 252.357
 
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Names and Synonyms

Synonyms

  • BRN 3963086
  • NSC 194277
  • S-((N-Cyclohexylamidino)methyl) hydrogen thiosulfate

Systematic Names

  • Methanethiol, (N-cyclohexyl)amidino-, hydrogen sulfate (ester)
  • Thiosulfuric acid (H2S2O3), S-(2-(cyclohexylamino)-2-iminoethyl) ester (9CI)

Registry Numbers

CAS Registry Number

  • 40283-55-4

System Generated Number

  • 0040283554

Structure Descriptors

InChI

1S/C8H16N2O3S2/c9-8(6-14-15(11,12)13)10-7-4-2-1-3-5-7/h7H,1-6H2,(H2,9,10)(H,11,12,13)

InChIKey

DSKDIOZEEJPDAJ-UHFFFAOYSA-N

Smiles

S(SCC(NC1CCCCC1)=N)(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 1600mg/kg (1600mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.