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Substance Name: Methanethiol, (N-cycloheptyl)amidino-, hydrogen sulfate (ester)
RN: 40283-60-1
InChIKey: VYSJWMOSNCCCOS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H18-N2-O3-S2

Molecular Weight

  • 266.3842
 
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Names and Synonyms

Synonyms

  • BRN 3965754
  • S-((N-Cycloheptylamidino)methyl) hydrogen thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 40283-60-1

System Generated Number

  • 0040283601

Structure Descriptors

InChI

1S/C9H18N2O3S2/c10-9(7-15-16(12,13)14)11-8-5-3-1-2-4-6-8/h8H,1-7H2,(H2,10,11)(H,12,13,14)

InChIKey

VYSJWMOSNCCCOS-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 65mg/kg (65mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 175mg/kg (175mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.