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Substance Name: 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with N,N-dimethylimidodicarbonimidic diamide (1:1)
RN: 55912-09-9
InChIKey: GOWNLYUDZLTCTP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-N4-O4.C4-H11-N5

Molecular Weight

  • 367.3679
 
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Names and Synonyms

Synonyms

  • 1,1'-Dimethylbiguamide theophylline-7-acetate
  • Theophyllineethanoate-7 de dimethyl-1,1'-biguanide
  • Theophyllineethanoate-7 de dimethyl-1,1'-biguanide [French]

Systematic Name

  • 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with N,N-dimethylimidodicarbonimidic diamide (1:1)

Registry Numbers

CAS Registry Number

  • 55912-09-9

System Generated Number

  • 0055912099

Molecular Formulas

Molecular Formula

  • C9-H10-N4-O4.C4-H11-N5

Molecular Formula Fragments

  • C4-H11-N5
  • C9-H10-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C9H10N4O4.C4H11N5/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;1-8-4(7)9(2)3(5)6/h4H,3H2,1-2H3,(H,14,15);1-2H3,(H3,5,6)(H2,7,8)

InChIKey

GOWNLYUDZLTCTP-UHFFFAOYSA-N

Smiles

CNC(=N)N(C)C(=N)N.Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1450mg/kg (1450mg/kg)   French Demande Patent Document. Vol. #2220256,
rat LD50 oral 10700mg/kg (10700mg/kg)   French Demande Patent Document. Vol. #2220256,