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Substance Name: Methanethiol, (N-cyclooctylmethyl)amidino-, hydrogen sulfate (ester)
RN: 40283-64-5
InChIKey: WAZJRDVLNOHWSD-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 3971667
  • S-((N-Cyclooctylmethylamidino)methyl) hydrogen thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 40283-64-5

System Generated Number

  • 0040283645

Structure Descriptors

InChI

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

InChIKey

WAZJRDVLNOHWSD-UHFFFAOYSA-N

Smiles

C1CCCC(CCC1)CNC(=N)CSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 19mg/kg (19mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.