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Substance Name: Ethanethiol, 2-(7-methyloctyl)amino-, hydrogen sulfate (ester)
RN: 27976-14-3
InChIKey: GFDXGSPTNKJZSL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H25-N-O3-S2

Molecular Weight

  • 283.454
 
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Names and Synonyms

Synonyms

  • 2-(7-Methyloctyl)aminoethanethiol hydrogen sulfate (ester)
  • BRN 2368352

Systematic Name

  • Ethanethiol, 2-(7-methyloctyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 27976-14-3

System Generated Number

  • 0027976143

Structure Descriptors

InChI

1S/C11H25NO3S2/c1-11(2)7-5-3-4-6-8-12-9-10-16-17(13,14)15/h11-12H,3-10H2,1-2H3,(H,13,14,15)

InChIKey

GFDXGSPTNKJZSL-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCCCCCC(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.