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Substance Name: 7-p-Toluoylmethyl-8-N-piperidinotheophylline
RN: 96885-58-4
InChIKey: MVZXMWYBZYFGGX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N5-O3

Molecular Weight

  • 395.4605
 
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Names and Synonyms

Results Name

  • 7-p-Toluoylmethyl-8-N-piperidinotheophylline

Synonyms

  • 3,7-Dihydro-1,3-dimethyl-7-(2-(p-tolyl)-2-oxoethyl)-8-(1-piperidinyl)-1H-purine-2,6-dione
  • 7-p-Toluoylmethyl-8-N-piperidinotheophylline
  • BRN 5660099

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-methylphenyl)-2-oxoethyl)-8-(1-piperidinyl)-

Registry Numbers

CAS Registry Number

  • 96885-58-4

System Generated Number

  • 0096885584

Structure Descriptors

InChI

1S/C21H25N5O3/c1-14-7-9-15(10-8-14)16(27)13-26-17-18(23(2)21(29)24(3)19(17)28)22-20(26)25-11-5-4-6-12-25/h7-10H,4-6,11-13H2,1-3H3

InChIKey

MVZXMWYBZYFGGX-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2nc(N3CCCCC3)n(CC(=O)c4ccc(C)cc4)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1380mg/kg (1380mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

CARDIAC: OTHER CHANGES
Pharmaceutical Chemistry Journal Vol. 18, Pg. 823, 1984.