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Substance Name: Ethanethiol, 2-(3-decyl)amino-, hydrogen sulfate (ester)
RN: 924-21-0
InChIKey: XQCSYUDWFUQARH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H27-N-O3-S2

Molecular Weight

  • 297.481
 
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Names and Synonyms

Synonyms

  • 2-(3-Decyl)aminoethanethiol hydrogen sulfate (ester)
  • BRN 2370171
  • Ethanethiol, 2-((1-ethyloctyl)amino)-, hydrogen sulfate (ester)

Systematic Name

  • Ethanethiol, 2-(3-decyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 924-21-0

System Generated Number

  • 0000924210

Structure Descriptors

InChI

1S/C12H27NO3S2/c1-3-5-6-7-8-9-12(4-2)13-10-11-17-18(14,15)16/h12-13H,3-11H2,1-2H3,(H,14,15,16)

InChIKey

XQCSYUDWFUQARH-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCN[C@@H](CC)CCCCCCC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.