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Substance Name: Methanethiol, (N-cyclopentylmethyl)amidino-, hydrogen thiosulfate
RN: 40283-54-3
InChIKey: JANNQSLLUJUMEN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H16-N2-O3-S2

Molecular Weight

  • 252.3574
 
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Names and Synonyms

Synonyms

  • BRN 3963087
  • S-((N-Cyclopentylmethylamidino)methyl) hydrogen thiosulfate

Systematic Name

  • Methanethiol, (N-cyclopentylmethyl)amidino-, hydrogen thiosulfate

Registry Numbers

CAS Registry Number

  • 40283-54-3

System Generated Number

  • 0040283543

Structure Descriptors

InChI

1S/C8H16N2O3S2/c9-8(6-14-15(11,12)13)10-5-7-3-1-2-4-7/h7H,1-6H2,(H2,9,10)(H,11,12,13)

InChIKey

JANNQSLLUJUMEN-UHFFFAOYSA-N

Smiles

C1CCC(C1)CNC(=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 80mg/kg (80mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.