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Substance Name: Pimefylline nicotinate
RN: 10058-07-8
UNII: 8Y694512DA
InChIKey: DOWFKBHYDXGGML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C15-H18-N6-O2.C6-H5-N-O2
  • C21-H23-N7-O4

Molecular Weight

  • 437.4577
 
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Names and Synonyms

Name of Substance

  • Pimefylline nicotinate

Synonyms

  • 7-(2-((3-Pyridylmethyl)amino)ethyl)theophylline nicotinate
  • 7-(2-(Piridil)-metilammino-etil)-teofillino nicotinato
  • 7-(2-(Piridil)-metilammino-etil)-teofillino nicotinato [Italian]
  • 7-(beta-3'-Picolylaminoaethyl)theophyllin-nicotinat
  • 7-(beta-3'-Picolylaminoaethyl)theophyllin-nicotinat [German]
  • EINECS 233-185-3
  • ES 902
  • Teonicon
  • UNII-8Y694512DA

Systematic Names

  • Nicotinic acid, compound with 3,7-dihydro-1,3-dimethyl-7-(2-((3-pyridylmethyl)amino)ethyl)-1H-purine-2,6-dione (1:1)
  • Theophylline, 7-(2-((3-pyridylmethyl)amino)ethyl)-, nicotinate

Registry Numbers

CAS Registry Number

  • 10058-07-8

FDA UNII

  • 8Y694512DA

System Generated Number

  • 0010058078

Molecular Formulas

Molecular Formulas

  • C15-H18-N6-O2.C6-H5-N-O2
  • C21-H23-N7-O4

Molecular Formula Fragments

  • C15-H18-N6-O2
  • C6-H5-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C15H18N6O2.C6H5NO2/c1-19-13-12(14(22)20(2)15(19)23)21(10-18-13)7-6-17-9-11-4-3-5-16-8-11;8-6(9)5-2-1-3-7-4-5/h3-5,8,10,17H,6-7,9H2,1-2H3;1-4H,(H,8,9)

InChIKey

DOWFKBHYDXGGML-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(CCNCc3cccnc3)c2C1=O.OC(=O)c4cccnc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 470mg/kg (470mg/kg)   Pharmaceutica Acta Helvetiae. Vol. 48, Pg. 133, 1973.
mouse LD50 oral 2530mg/kg (2530mg/kg)   Pharmaceutica Acta Helvetiae. Vol. 48, Pg. 133, 1973.
rat LD50 oral 3700mg/kg (3700mg/kg)   Gazzetta Medica Italiana. Vol. 132, Pg. 36, 1973.
rat LD50 subcutaneous 2300mg/kg (2300mg/kg)   Gazzetta Medica Italiana. Vol. 132, Pg. 36, 1973.