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Substance Name: Ethanethiol, 2-undecylamino-, hydrogen sulfate (ester)
RN: 929-39-5
InChIKey: AUEJBFDAJLTUHB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H29-N-O3-S2

Molecular Weight

  • 311.508
 
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Names and Synonyms

Synonyms

  • 2-Undecylaminoethanethiol hydrogen sulfate (ester)
  • BRN 2373192

Systematic Name

  • Ethanethiol, 2-undecylamino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 929-39-5

System Generated Number

  • 0000929395

Structure Descriptors

InChI

1S/C13H29NO3S2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13-18-19(15,16)17/h14H,2-13H2,1H3,(H,15,16,17)

InChIKey

AUEJBFDAJLTUHB-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCCCCCCCCCC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 8mg/kg (8mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.