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Substance Name: Ethanethiol, 2-(4-(3-methylcyclohexyl)butyl)amino-, hydrogen sulfate (ester)
RN: 21209-04-1
InChIKey: YJYNLBSUQBRMED-ZGTCLIOFSA-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-((4-(3-Methylcyclohexyl)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2981974
  • S-2-((4-(3-Methylcyclohexyl)butyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(4-(3-methylcyclohexyl)butyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21209-04-1

System Generated Number

  • 0021209041

Structure Descriptors

InChI

1S/C13H27NO3S2/c1-12-5-4-7-13(11-12)6-2-3-8-14-9-10-17-19(15,16)18/h12-14H,2-11H2,1H3,(H,15,16,18)/t12?,13-/m1/s1

InChIKey

YJYNLBSUQBRMED-ZGTCLIOFSA-N

Smiles

O=[S@@](OCCNCCCC[C@H]1C[C@@H](CCC1)C)(O)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 8mg/kg (8mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.