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Substance Name: Phosphorothioic acid, S-(2-((2-cyanoethyl)amino)ethyl) ester, sodium salt
RN: 63717-21-5
InChIKey: JEUHEOPRPYQCHO-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H19-N2-O3-P-S.Na

Molecular Weight

  • 232.175
 
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Names and Synonyms

Synonyms

  • Ethanethiol, 2-((2-cyanoethyl)amino)-, dihydrogen phosphate (ester) sodium salt
  • Phosphorothioic acid, S-ester with 2-((2-cyanoethyl)amino)ethanethiol, sodium salt
  • S-2-(2-Cyanoethylamino)ethyl sodium hydrogen phosphorothioate

Systematic Name

  • Phosphorothioic acid, S-(2-((2-cyanoethyl)amino)ethyl) ester, sodium salt

Registry Numbers

CAS Registry Number

  • 63717-21-5

System Generated Number

  • 0063717215

Molecular Formulas

Molecular Formula

  • C5-H19-N2-O3-P-S.Na

Molecular Formula Fragments

  • C5-H19-N2-O3-P-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C5H11N2O3PS.Na/c6-2-1-3-7-4-5-12-11(8,9)10;/h7H,1,3-5H2,(H2,8,9,10);/q;+1/p-1

InChIKey

JEUHEOPRPYQCHO-UHFFFAOYSA-M

Smiles

P(=O)(SCCNCCC#N)(O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 236, 1969.