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Substance Name: 1H-Purine-2,6-dione, 8-(dimethylamino)-3,7-dihydro-1,3-dimethyl- (9CI)
RN: 5426-47-1
InChIKey: QOFFIYLUCIEBBX-UHFFFAOYSA-N

Molecular Formula

  • C9-H13-N5-O2

Molecular Weight

  • 223.235
 
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Names and Synonyms

Synonyms

  • 8-Dimethylaminotheophylline
  • NSC 14107
  • Theophylline, 8-(dimethylamino)-

Systematic Names

  • 1H-Purine-2,6-dione, 8-(dimethylamino)-3,7-dihydro-1,3-dimethyl- (9CI)
  • Theophylline, 8-(dimethylamino)-

Registry Numbers

CAS Registry Number

  • 5426-47-1

System Generated Number

  • 0005426471

Structure Descriptors

InChI

1S/C9H13N5O2/c1-12(2)8-10-5-6(11-8)13(3)9(16)14(4)7(5)15/h1-4H3,(H,10,11)

InChIKey

QOFFIYLUCIEBBX-UHFFFAOYSA-N

Smiles

c12c(nc([nH]2)N(C)C)c(n(C)c(n1C)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04369,