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Substance Name: Theophylline, 8-(4-methylpiperidinoazo)-
RN: 73908-80-2
InChIKey: DGIMUZCEBVCVEW-WUKNDPDISA-N

Molecular Formula

  • C13-H19-N7-O2

Molecular Weight

  • 305.34
 
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Names and Synonyms

Synonyms

  • 8-(4-Methyl-1-piperidino-azo)theophylline
  • NSC 62601
  • Theophylline, 8-(4-methylpiperidinoazo)-

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-((4-methyl-1-piperidinyl)azo)- (9CI)
  • Theophylline, 8-(4-methylpiperidinoazo)-

Registry Numbers

CAS Registry Number

  • 73908-80-2

System Generated Number

  • 0073908802

Structure Descriptors

InChI

1S/C13H19N7O2/c1-8-4-6-20(7-5-8)17-16-12-14-9-10(15-12)18(2)13(22)19(3)11(9)21/h8H,4-7H2,1-3H3,(H,14,15)/b17-16+

InChIKey

DGIMUZCEBVCVEW-WUKNDPDISA-N

Smiles

c12c(c(n(C)c(n1C)=O)=O)nc([nH]2)\N=N\N1CCC(C)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04397,