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Substance Name: Ethanethiol, 2-(1-hydroxy-2-decyl)amino-, hydrogen sulfate (ester)
RN: 21220-96-2
InChIKey: ASIGPKVMVQVJFF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H27-N-O4-S2

Molecular Weight

  • 313.48
 
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Names and Synonyms

Synonyms

  • 2-((1-Hydroxy-2-decyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 3055061
  • S-2-((1-Hydroxy-2-decyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(1-hydroxy-2-decyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21220-96-2

System Generated Number

  • 0021220962

Structure Descriptors

InChI

1S/C12H27NO4S2/c1-2-3-4-5-6-7-8-12(11-14)13-9-10-18-19(15,16)17/h12-14H,2-11H2,1H3,(H,15,16,17)

InChIKey

ASIGPKVMVQVJFF-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCN[C@@H](CCCCCCCC)CO

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.