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Substance Name: Ethanethiol, 2-(4-(decahydro-2-naphthyl)butyl)amino-, hydrogen sulfate (ester)
RN: 21209-19-8
InChIKey: QQYDMJPKLDCHMD-GPANFISMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H31-N-O3-S2

Molecular Weight

  • 349.557
 
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Names and Synonyms

Synonyms

  • 2-((4-(Decahydro-2-naphthyl)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2990738
  • S-2-((4-(Decahydro-2-naphthyl)butyl)amino)ethyl thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21209-19-8

System Generated Number

  • 0021209198

Structure Descriptors

InChI

1S/C16H31NO3S2/c18-22(19,21)20-12-11-17-10-4-3-5-14-8-9-15-6-1-2-7-16(15)13-14/h14-17H,1-13H2,(H,18,19,21)/t14?,15?,16-/m0/s1

InChIKey

QQYDMJPKLDCHMD-GPANFISMSA-N

Smiles

O=[S@@](OCCNCCCC[C@@H]1C[C@@H]2CCCC[C@@H]2CC1)(O)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 18mg/kg (18mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.