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Substance Name: Ethanethiol, 2-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester)
RN: 21208-94-6
InChIKey: SEBZMEGIAVOMEZ-SNVBAGLBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H23-N-O3-S2

Molecular Weight

  • 281.439
 
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Names and Synonyms

Synonyms

  • 2-((2-Cyclopentylbutyl)amino)ethanethiol, hydrogen sulfate (ester)
  • S-2-((2-Cyclopentylbutyl)amino)ethyl thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21208-94-6

System Generated Number

  • 0021208946

Structure Descriptors

InChI

1S/C11H23NO3S2/c1-2-10(11-5-3-4-6-11)9-12-7-8-15-17(13,14)16/h10-12H,2-9H2,1H3,(H,13,14,16)/t10-/m1/s1

InChIKey

SEBZMEGIAVOMEZ-SNVBAGLBSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.