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Substance Name: Ethanethiol, 2-(5-cyclopentylpentyl)amino-, hydrogen sulfate (ester)
RN: 21208-99-1
InChIKey: FLPBHSKQKWBWDM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H25-N-O3-S2

Molecular Weight

  • 295.466
 
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Names and Synonyms

Synonyms

  • 2-((5-Cyclopentylpentyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 3056473
  • S-2-((5-Cyclopentylpentyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(5-cyclopentylpentyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21208-99-1

System Generated Number

  • 0021208991

Structure Descriptors

InChI

1S/C12H25NO3S2/c14-18(15,16)17-11-10-13-9-5-1-2-6-12-7-3-4-8-12/h12-13H,1-11H2,(H,14,15,16)

InChIKey

FLPBHSKQKWBWDM-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCCC1CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.
mouse LD50 oral 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.