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Substance Name: Phosphorothioic acid, S-(1-amidinopentyl) ester, monosodium salt
RN: 69803-93-6
InChIKey: ULNHBUFXPUXBDX-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H14-N2-O3-P-S.Na

Molecular Weight

  • 248.2176
 
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Names and Synonyms

Synonym

  • S-(1-Amidinopentyl) phosphorothioate monosodium salt

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 69803-93-6

System Generated Number

  • 0069803936

Molecular Formulas

Molecular Formula

  • C6-H14-N2-O3-P-S.Na

Molecular Formula Fragments

  • C6-H14-N2-O3-P-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C6H15N2O3PS.Na/c1-2-3-4-5(6(7)8)13-12(9,10)11;/h5H,2-4H2,1H3,(H3,7,8)(H2,9,10,11);/q;+1/p-1

InChIKey

ULNHBUFXPUXBDX-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 171mg/kg (171mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 22, 1979.
mouse LD50 parenteral 420mg/kg (420mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 22, 1979.