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Substance Name: Ethanethiol, 2-(2-phthalimidoethylamino)-, hydrogen sulfate (ester), hydrate
RN: 31792-42-4
InChIKey: DMBQAWFAYIHLSZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-N2-O5-S.H2-O

Molecular Weight

  • 330.3836
 
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Names and Synonyms

Synonyms

  • 2-(2-Phthalimidoethylamino)ethanethiol, hydrogen sulfate (ester), hydrate
  • N-(2-(2-Mercaptoethylamino)ethyl)phthalimide, hydrogen sulfate (ester), hydrate
  • Phthalimide, N-(2-(2-mercaptoethylamino)ethyl)-, hydrogen sulfate (ester), hydrate

Systematic Name

  • Ethanethiol, 2-(2-phthalimidoethylamino)-, hydrogen sulfate (ester), hydrate

Registry Numbers

CAS Registry Number

  • 31792-42-4

System Generated Number

  • 0031792424

Molecular Formulas

Molecular Formula

  • C12-H14-N2-O5-S.H2-O

Molecular Formula Fragments

  • C12-H14-N2-O5-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C12H14N2O5S2/c15-11-9-3-1-2-4-10(9)12(16)14(11)7-5-13-6-8-20-21(17,18)19/h1-4,13H,5-8H2,(H,17,18,19)

InChIKey

DMBQAWFAYIHLSZ-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C(=O)N(C2=O)CCNCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1800mg/kg (1800mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 345, 1971.