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Substance Name: Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)-
RN: 19971-87-0
InChIKey: HISDWWLNHMDWCQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-N6-O2

Molecular Weight

  • 382.4654
 
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Names and Synonyms

Synonyms

  • 5-26-14-00015 (Beilstein Handbook Reference)
  • 7-(2-(4-Benzyl-1-piperazino)ethyl)theophylline
  • BRN 0586260
  • Piperazine, 1-benzyl-4-(1,3-dimethylxanthin-7-yl)ethyl-

Systematic Name

  • Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 19971-87-0

System Generated Number

  • 0019971870

Structure Descriptors

InChI

1S/C20H26N6O2/c1-22-18-17(19(27)23(2)20(22)28)26(15-21-18)13-12-24-8-10-25(11-9-24)14-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3

InChIKey

HISDWWLNHMDWCQ-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(CCN3CCN(Cc4ccccc4)CC3)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 771, 1969.