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Substance Name: Ethanamidamide, N-((3-((3',4'-dimethylphenyl)tricyclo(3.3.1.1(sup 3,7)dec-1-yl)methyl)-2-(phosphonothio)-, monosodium salt
RN: 155622-20-1
InChIKey: GDPCGOHEIYOLQG-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-N2-O3-P-S.Na

Molecular Weight

  • 444.509
 
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Names and Synonyms

Synonym

  • Monosodium salt of N-(3-(3,4-dimethylphenyl)adamant-1-ylmethyl)acetamidinothiophosphoric acid

Systematic Name

  • Ethanamidamide, N-((3-((3',4'-dimethylphenyl)tricyclo(3.3.1.1(sup 3,7)dec-1-yl)methyl)-2-(phosphonothio)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 155622-20-1

System Generated Number

  • 0155622201

Molecular Formulas

Molecular Formula

  • C21-H30-N2-O3-P-S.Na

Molecular Formula Fragments

  • C21-H30-N2-O3-P-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H31N2O3PS.Na/c1-14-3-4-18(5-15(14)2)21-9-16-6-17(10-21)8-20(7-16,12-21)13-23-19(22)11-28-27(24,25)26;/h3-5,16-17H,6-13H2,1-2H3,(H2,22,23)(H2,24,25,26);/q;+1/p-1

InChIKey

GDPCGOHEIYOLQG-UHFFFAOYSA-M

Smiles

Cc1ccc(cc1C)C23CC4CC(C2)CC(C4)(C3)CNC(=N)CSP(=O)(O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 65mg/kg (65mg/kg)   Pharmaceutical Chemistry Journal Vol. 27, Pg. 585, 1993.