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Substance Name: Benzoic acid, o-((2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7-purinyl)ethyl)thio)-, sodium salt
RN: 3624-93-9
InChIKey: LPHLDBLOLNFPEU-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-N4-O4-S.Na

Molecular Weight

  • 382.3745
 
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Names and Synonyms

Synonym

  • T(sub 25)

Systematic Name

  • Benzoic acid, o-((2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7-purinyl)ethyl)thio)-, sodium salt

Registry Numbers

CAS Registry Number

  • 3624-93-9

System Generated Number

  • 0003624939

Molecular Formulas

Molecular Formula

  • C16-H15-N4-O4-S.Na

Molecular Formula Fragments

  • C16-H15-N4-O4-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H16N4O4S.Na/c1-18-13-12(14(21)19(2)16(18)24)20(9-17-13)7-8-25-11-6-4-3-5-10(11)15(22)23;/h3-6,9H,7-8H2,1-2H3,(H,22,23);/q;+1/p-1

InChIKey

LPHLDBLOLNFPEU-UHFFFAOYSA-M

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCSc3ccccc3C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Archivum Immunologiae et Therapiae Experimentalis. Vol. 10, Pg. 141, 1962.