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Substance Name: Phosphorothioic acid, S-((N-(3-methyl-1-adamantyl)methyl)amidino)methyl ester, monosodium salt
RN: 69804-03-1
InChIKey: QRRAGCPASSPUJY-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H24-N2-O3-P-S.Na

Molecular Weight

  • 354.385
 
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Names and Synonyms

Synonym

  • S-((N-(3-Methyl-1-adamantyl)methyl)amidino)methyl phosphorothioate monosodium salt

Systematic Name

  • Phosphorothioic acid, S-((N-(3-methyl-1-adamantyl)methyl)amidino)methyl ester, monosodium salt

Registry Numbers

CAS Registry Number

  • 69804-03-1

System Generated Number

  • 0069804031

Molecular Formulas

Molecular Formula

  • C14-H24-N2-O3-P-S.Na

Molecular Formula Fragments

  • C14-H24-N2-O3-P-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C14H25N2O3PS.Na/c1-13-3-10-2-11(4-13)6-14(5-10,8-13)9-16-12(15)7-21-20(17,18)19;/h10-11H,2-9H2,1H3,(H2,15,16)(H2,17,18,19);/q;+1/p-1

InChIKey

QRRAGCPASSPUJY-UHFFFAOYSA-M

Smiles

C1[C@@H]2CC3(CC(C2)(C[C@@H]1C3)C)CNC(CSP(=O)(O)[O-])=N.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 27mg/kg (27mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 22, 1979.