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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo- (9CI)
RN: 24255-56-9
InChIKey: LQDFDEBMWZCIKY-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-I-N4-O2

Molecular Weight

  • 306.058
 
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Names and Synonyms

Synonyms

  • 2-26-00-00278 (Beilstein Handbook Reference)
  • 8-Iodotheophylline
  • BRN 0203071
  • NSC 78565

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 24255-56-9

System Generated Number

  • 0024255569

Structure Descriptors

InChI

1S/C7H7IN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)

InChIKey

LQDFDEBMWZCIKY-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03606,