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Substance Name: Nicophyllin
RN: 53890-71-4
InChIKey: UPPYYQSTMLYYNF-UHFFFAOYSA-N

Note

  • Combination of nicotinic acid & euphyllin (aminophyllin).

Molecular Formula

  • C7-H8-N4-O2.x-C6-H5-N-O2.x-C2-H8-N2

Molecular Weight

  • 363.3759
 
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Names and Synonyms

Name of Substance

  • Nicophyllin

Synonyms

  • 4-Nicotionylmorpholin
  • Nicofolina
  • Nicophyllin
  • Nicophylline

Systematic Name

  • 3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione and 1,2-ethanediamine

Registry Numbers

CAS Registry Number

  • 53890-71-4

System Generated Number

  • 0053890714

Molecular Formulas

Molecular Formula

  • C7-H8-N4-O2.x-C6-H5-N-O2.x-C2-H8-N2

Molecular Formula Fragments

  • C2-H8-N2
  • C6-H5-N-O2
  • C7-H8-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C7H8N4O2.C6H5NO2.C2H8N2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;8-6(9)5-2-1-3-7-4-5;3-1-2-4/h3H,1-2H3,(H,8,9);1-4H,(H,8,9);1-4H2

InChIKey

UPPYYQSTMLYYNF-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2nc[nH]c2C1=O.NCCN.OC(=O)c3cccnc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 140mg/kg (140mg/kg)   Farmakologiya i Toksikologiya Vol. 9, Pg. 113, 1974.
mammal (species unspecified) LD50 oral 230mg/kg (230mg/kg)   Farmakologiya i Toksikologiya Vol. 9, Pg. 113, 1974.
mammal (species unspecified) LD50 subcutaneous 160mg/kg (160mg/kg)   Farmakologiya i Toksikologiya Vol. 9, Pg. 113, 1974.