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Substance Name: Theophylline, compd. with nicotinamide
RN: 42581-41-9
InChIKey: OGHIFUQPJCOBFN-UHFFFAOYSA-N

Molecular Weight

  • 302.2926
 
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Names and Synonyms

Synonyms

  • Theophyllin nikotinsaureamid
  • Theophyllin nikotinsaureamid [German]
  • Theophylline nicotinamide

Systematic Name

  • Theophylline, compd. with nicotinamide

Registry Numbers

CAS Registry Number

  • 42581-41-9

System Generated Number

  • 0042581419

Structure Descriptors

InChI

1S/C7H8N4O2.C6H6N2O/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;7-6(9)5-2-1-3-8-4-5/h3H,1-2H3,(H,8,9);1-4H,(H2,7,9)

InChIKey

OGHIFUQPJCOBFN-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)[nH]cn2.c1cc(cnc1)C(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 185mg/kg (185mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 649, 1954.