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Substance Name: Ethanethiol, 2-octadecylamino-, hydrogen sulfate (ester)
RN: 929-47-5
InChIKey: ZPIZOEMTEYVDGD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H43-N-O3-S2

Molecular Weight

  • 409.696
 
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Names and Synonyms

Synonyms

  • 2-Octadecylaminoethanethiol hydrogen sulfate (ester)
  • BRN 2385563
  • Thiosulfuric acid, S-(2-(octadecylamino)ethyl) ester
  • WR 2362

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 929-47-5

System Generated Number

  • 0000929475

Structure Descriptors

InChI

1S/C20H43NO3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-25-26(22,23)24/h21H,2-20H2,1H3,(H,22,23,24)

InChIKey

ZPIZOEMTEYVDGD-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCCCCCCCCCCCCCCCCC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.