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Substance Name: Methanethiol, N-(4-hydroxymethylcyclohexylmethyl)amidino-, hydrogen thiosulfate
RN: 40283-81-6
InChIKey: WIWKLJSVMPRVIK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H20-N2-O4-S2

Molecular Weight

  • 296.41
 
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Names and Synonyms

Synonym

  • S-((N-(4-Hydroxymethylcyclohexylmethyl)amidino)methyl) hydrogen thiosulfate

Systematic Name

  • Methanethiol, N-(4-hydroxymethylcyclohexylmethyl)amidino-, hydrogen thiosulfate

Registry Numbers

CAS Registry Number

  • 40283-81-6

System Generated Number

  • 0040283816

Structure Descriptors

InChI

1S/C10H20N2O4S2/c11-10(7-17-18(14,15)16)12-5-8-1-3-9(6-13)4-2-8/h8-9,13H,1-7H2,(H2,11,12)(H,14,15,16)

InChIKey

WIWKLJSVMPRVIK-UHFFFAOYSA-N

Smiles

C1CC(CCC1CNC(=N)CSS(=O)(=O)O)CO

Toxicity

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