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Substance Name: Ethanethiol, 2-(2-(2-phthalimido)ethylthio)ethylamino-, monosodium phosphate (ester)
RN: 31786-74-0
InChIKey: DLMOJZRTZIHTFW-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-N2-Na-O5-P-S2

Molecular Weight

  • 412.401
 
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Names and Synonyms

Synonyms

  • 2-(2-(2-Phthalimidoethylthio)ethylamino)ethanethiol monosodium phosphate (ester)
  • N-(2-(2-Mercaptoethylamino)ethyl)phthalimide monosodium phosphate (ester)
  • Phthalimide, N-(2-((2-((2-mercaptoethyl)amino)ethyl)thio)ethyl)-, monosodium phosphate (ester)

Systematic Name

  • Ethanethiol, 2-(2-(2-phthalimido)ethylthio)ethylamino-, monosodium phosphate (ester)

Registry Numbers

CAS Registry Number

  • 31786-74-0

System Generated Number

  • 0031786740

Structure Descriptors

InChI

1S/C14H19N2O5PS2.Na/c17-13-11-3-1-2-4-12(11)14(18)16(13)7-10-23-8-5-15-6-9-24-22(19,20)21;/h1-4,15H,5-10H2,(H2,19,20,21);/q;+1/p-1

InChIKey

DLMOJZRTZIHTFW-UHFFFAOYSA-M

Smiles

[Na+].P(O)(=O)([O-])SCCNCCSCCN1C(=O)c2c(C1=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 345, 1971.