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Substance Name: Acetic acid, ((2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio)-, hydrazide, monohydrochloride
RN: 130366-25-5
InChIKey: FLCCWXVXNORWQS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-N6-O3-S.Cl-H

Molecular Weight

  • 320.7597
 
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Names and Synonyms

Synonym

  • 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride

Systematic Name

  • Acetic acid, ((2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio)-, hydrazide, monohydrochloride

Registry Numbers

CAS Registry Number

  • 130366-25-5

System Generated Number

  • 0130366255

Molecular Formulas

Molecular Formula

  • C9-H12-N6-O3-S.Cl-H

Molecular Formula Fragments

  • C9-H12-N6-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C9H12N6O3S.ClH/c1-14-6-5(7(17)15(2)9(14)18)11-8(12-6)19-3-4(16)13-10;/h3,10H2,1-2H3,(H,11,12)(H,13,16);1H

InChIKey

FLCCWXVXNORWQS-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)SCC(=O)NN.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2350mg/kg (2350mg/kg)   Pharmaceutical Chemistry Journal Vol. 24, Pg. 493, 1990.