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Substance Name: Phosphorothioic acid, S-(N-(1-adamantylmethylamidino)methyl) ester, monosodium salt
RN: 69804-02-0
InChIKey: APSGOZYAVZUYOJ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-N2-O3-P-S.Na

Molecular Weight

  • 340.358
 
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Names and Synonyms

Synonyms

  • NSC 193499
  • S-(N-(1-Adamantylmethylamidino)methyl)phosphorothioate monosodium salt

Systematic Name

  • Phosphorothioic acid, S-(N-(1-adamantylmethylamidino)methyl) ester, monosodium salt

Registry Numbers

CAS Registry Number

  • 69804-02-0

System Generated Number

  • 0069804020

Molecular Formulas

Molecular Formula

  • C13-H22-N2-O3-P-S.Na

Molecular Formula Fragments

  • C13-H22-N2-O3-P-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C13H23N2O3PS.Na/c14-12(7-20-19(16,17)18)15-8-13-4-9-1-10(5-13)3-11(2-9)6-13;/h9-11H,1-8H2,(H2,14,15)(H2,16,17,18);/q;+1/p-1

InChIKey

APSGOZYAVZUYOJ-UHFFFAOYSA-M

Smiles

C1C2CC3(CC(C2)CC1C3)CNC(CSP(=O)(O)[O-])=N.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 408mg/kg (408mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 22, 1979.
mouse LD50 parenteral 98mg/kg (98mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 22, 1979.