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Substance Name: 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-methoxybenzyl)-
RN: 19972-00-0
InChIKey: AAPHFBIWUCKJCF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-N6-O4

Molecular Weight

  • 442.517
 
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Names and Synonyms

Synonyms

  • 5-26-14-00059 (Beilstein Handbook Reference)
  • BRN 0595373
  • Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-1-piperazinyl)propyl)-

Systematic Name

  • 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-methoxybenzyl)-

Registry Numbers

CAS Registry Number

  • 19972-00-0

System Generated Number

  • 0019972000

Structure Descriptors

InChI

1S/C22H30N6O4/c1-24-20-19(21(30)25(2)22(24)31)28(15-23-20)14-17(29)13-27-10-8-26(9-11-27)12-16-4-6-18(32-3)7-5-16/h4-7,15,17,29H,8-14H2,1-3H3

InChIKey

AAPHFBIWUCKJCF-UHFFFAOYSA-N

Smiles

n1(cnc2n(C)c(=O)n(C)c(=O)c12)C[C@@H](CN1CCN(CC1)Cc1ccc(cc1)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg) BEHAVIORAL: EXCITEMENT

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