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Substance Name: Methanethiol, N-(2-(cyclohexylthio)ethyl)amidino-, hydrogen sulfate (ester)
RN: 40284-01-3
InChIKey: WIAALPGBRQCFDY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H20-N2-O3-S3

Molecular Weight

  • 312.477
 
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Names and Synonyms

Synonym

  • S-((N-(2-Cyclohexylthioethyl)amidino)methyl) hydrogen thiosulfate

Systematic Name

  • Methanethiol, N-(2-(cyclohexylthio)ethyl)amidino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 40284-01-3

System Generated Number

  • 0040284013

Structure Descriptors

InChI

1S/C10H20N2O3S3/c11-10(8-17-18(13,14)15)12-6-7-16-9-4-2-1-3-5-9/h9H,1-8H2,(H2,11,12)(H,13,14,15)

InChIKey

WIAALPGBRQCFDY-UHFFFAOYSA-N

Smiles

C1CCC(CC1)SCCNC(=N)CSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 40mg/kg (40mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.