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Substance Name: Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate
RN: 119395-99-2
InChIKey: HHDTWQXLHWNGAN-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H5-N2-O3-P-S.2Li.H2-O

Molecular Weight

  • 218.0275
 
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Names and Synonyms

Synonyms

  • 4-Pyrimidinemethanethiol, dihydrogen phosphate (ester), dilithium salt, hydrate
  • Dilithium S-(4-pyrimidinylmethyl) phosphorothioate hydrate

Systematic Name

  • Phosphorothioic acid, S-(4-pyrimidinylmethyl) ester, dilithium salt, monohydrate

Registry Numbers

CAS Registry Number

  • 119395-99-2

System Generated Number

  • 0119395992

Molecular Formulas

Molecular Formula

  • C5-H5-N2-O3-P-S.2Li.H2-O

Molecular Formula Fragments

  • C5-H5-N2-O3-P-S
  • COMPONENT
  • H2-O
  • Li

Structure Descriptors

InChI

1S/C5H7N2O3PS.2Li/c8-11(9,10)12-3-5-1-2-6-4-7-5;;/h1-2,4H,3H2,(H2,8,9,10);;/q;2*+1/p-2

InChIKey

HHDTWQXLHWNGAN-UHFFFAOYSA-L

Smiles

[Li+].[Li+].c1cncnc1CSP(=O)([O-])[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 211, 1988.