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Substance Name: Methanethiol, (N-cycloheptylmethyl)amidino-, hydrogen sulfate (ester)
RN: 40283-61-2
InChIKey: SCKFQSRDBBHBAR-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 3968951
  • S-((N-Cycloheptylmethylamidino)methyl) hydrogen thiosulfate

Systematic Name

  • Methanethiol, (N-cycloheptylmethyl)amidino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 40283-61-2

System Generated Number

  • 0040283612

Structure Descriptors

InChI

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

InChIKey

SCKFQSRDBBHBAR-UHFFFAOYSA-N

Smiles

C1CCCC(CC1)CNC(=N)CSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 30mg/kg (30mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.