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Substance Name: Methanethiol, N-cyclooctylamidino-, hydrogen sulfate (ester)
RN: 40283-63-4
InChIKey: RRXBGHRARYBGOA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H20-N2-O3-S2

Molecular Weight

  • 280.411
 
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Names and Synonyms

Synonyms

  • BRN 3969208
  • S-((N-Cyclooctylamidino)methyl) hydrogen thiosulfate

Systematic Name

  • Methanethiol, N-cyclooctylamidino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 40283-63-4

System Generated Number

  • 0040283634

Structure Descriptors

InChI

1S/C10H20N2O3S2/c11-10(8-16-17(13,14)15)12-9-6-4-2-1-3-5-7-9/h9H,1-8H2,(H2,11,12)(H,13,14,15)

InChIKey

RRXBGHRARYBGOA-UHFFFAOYSA-N

Smiles

C1CCCC(CCC1)NC(=N)CSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 35mg/kg (35mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 450mg/kg (450mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.