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Substance Name: Ethanethiol, 2-(4-(2,4-dimethylcyclohexyl)butyl)amino-, hydrogen sulfate (ester)
RN: 21209-11-0
InChIKey: OMUUGIGUHKEFLG-RUXDESIVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H29-N-O3-S2

Molecular Weight

  • 323.519
 
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Names and Synonyms

Synonyms

  • 2-((4-(2,4-Dimethylcyclohexyl)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2984178
  • S-2-((4-(2,4-Dimethylcyclohexyl)butyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(4-(2,4-dimethylcyclohexyl)butyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21209-11-0

System Generated Number

  • 0021209110

Structure Descriptors

InChI

1S/C14H29NO3S2/c1-12-6-7-14(13(2)11-12)5-3-4-8-15-9-10-18-20(16,17)19/h12-15H,3-11H2,1-2H3,(H,16,17,19)/t12?,13?,14-/m0/s1

InChIKey

OMUUGIGUHKEFLG-RUXDESIVSA-N

Smiles

O=[S@@](OCCNCCCC[C@@H]1[C@@H](C[C@@H](CC1)C)C)(O)=S

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.