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Substance Name: Phosphorothioic acid, S-(1-amidinobutyl) ester, monosodium salt
RN: 69803-91-4
InChIKey: VCNGWQYYWOETGG-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H12-N2-O3-P-S.Na

Molecular Weight

  • 234.1908
 
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Names and Synonyms

Synonym

  • S-(1-Amidinobutyl) phosphorothioate monosodium salt

Systematic Name

  • Phosphorothioic acid, S-(1-amidinobutyl) ester, monosodium salt

Registry Numbers

CAS Registry Number

  • 69803-91-4

System Generated Number

  • 0069803914

Molecular Formulas

Molecular Formula

  • C5-H12-N2-O3-P-S.Na

Molecular Formula Fragments

  • C5-H12-N2-O3-P-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C5H13N2O3PS.Na/c1-2-3-4(5(6)7)12-11(8,9)10;/h4H,2-3H2,1H3,(H3,6,7)(H2,8,9,10);/q;+1/p-1

InChIKey

VCNGWQYYWOETGG-UHFFFAOYSA-M

Smiles

CCCC(C(=N)N)SP(=O)(O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 169mg/kg (169mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 22, 1979.
mouse LD50 parenteral 440mg/kg (440mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 22, 1979.