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Substance Name: Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate
RN: 119395-98-1
InChIKey: VHOIERFAFNXXLK-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H6-N-O3-P-S.2Li.3H2-O

Molecular Weight

  • 217.0394
 
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Names and Synonyms

Synonyms

  • 4-Pyridinemethanethiol, dihydrogen phosphate (ester), dilithium salt, trihydrate
  • Dilithium S-(4-pyridylmethyl) phosphorothioate trihydrate

Systematic Name

  • Phosphorothioic acid, S-(4-pyridinylmethyl) ester, dilithium salt, trihydrate

Registry Numbers

CAS Registry Number

  • 119395-98-1

System Generated Number

  • 0119395981

Molecular Formulas

Molecular Formula

  • C6-H6-N-O3-P-S.2Li.3H2-O

Molecular Formula Fragments

  • C6-H6-N-O3-P-S
  • COMPONENT
  • H2-O
  • Li

Structure Descriptors

InChI

1S/C6H8NO3PS.2Li/c8-11(9,10)12-5-6-1-3-7-4-2-6;;/h1-4H,5H2,(H2,8,9,10);;/q;2*+1/p-2

InChIKey

VHOIERFAFNXXLK-UHFFFAOYSA-L

Smiles

[Li+].[Li+].c1cnccc1CSP(=O)([O-])[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 211, 1988.