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Substance Name: Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester)
RN: 21209-01-8
InChIKey: KBCYZECVPKKIAZ-CYBMUJFWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H27-N-O3-S2

Molecular Weight

  • 309.492
 
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Names and Synonyms

Synonyms

  • 2-((2-Cyclopentylhexyl)amino)ethanethiol hydrogen sulfate (ester)
  • S-2-(((2-Cyclopentyl-2-butyl)ethyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21209-01-8

System Generated Number

  • 0021209018

Structure Descriptors

InChI

1S/C13H27NO3S2/c1-2-3-6-13(12-7-4-5-8-12)11-14-9-10-17-19(15,16)18/h12-14H,2-11H2,1H3,(H,15,16,18)/t13-/m1/s1

InChIKey

KBCYZECVPKKIAZ-CYBMUJFWSA-N

Smiles

O=[S@@](OCCNC[C@@H](CCCC)C1CCCC1)(O)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 135mg/kg (135mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.