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Substance Name: Methanethiol, (N-cycloheptylethyl)amidino-, hydrogen sulfate (ester)
RN: 40283-62-3
InChIKey: CYMGNLQIIHMKDZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H22-N2-O3-S2

Molecular Weight

  • 294.4378
 
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Names and Synonyms

Synonyms

  • BRN 3971669
  • S-((N-Cycloheptylethylamidino)methyl) hydrogen thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 40283-62-3

System Generated Number

  • 0040283623

Structure Descriptors

InChI

1S/C11H22N2O3S2/c12-11(9-17-18(14,15)16)13-8-7-10-5-3-1-2-4-6-10/h10H,1-9H2,(H2,12,13)(H,14,15,16)

InChIKey

CYMGNLQIIHMKDZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 17mg/kg (17mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 40mg/kg (40mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.