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Substance Name: 1-Piperazinecarboxylic acid, 4-(2-benzoyloxy-3-(1,3-dimethyl-7-xanthinyl)propyl)-, ethylester
RN: 19977-14-1
InChIKey: SBCDETAPNIEMGJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-N6-O6

Molecular Weight

  • 498.537
 
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Names and Synonyms

Synonym

  • Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)-

Systematic Name

  • 1-Piperazinecarboxylic acid, 4-(2-benzoyloxy-3-(1,3-dimethyl-7-xanthinyl)propyl)-, ethylester

Registry Numbers

CAS Registry Number

  • 19977-14-1

System Generated Number

  • 0019977141

Structure Descriptors

InChI

1S/C24H30N6O6/c1-4-35-24(34)29-12-10-28(11-13-29)14-18(36-22(32)17-8-6-5-7-9-17)15-30-16-25-20-19(30)21(31)27(3)23(33)26(20)2/h5-9,16,18H,4,10-15H2,1-3H3

InChIKey

SBCDETAPNIEMGJ-UHFFFAOYSA-N

Smiles

CCOC(=O)N1CCN(CC1)CC(Cn2cnc3c2c(=O)n(c(=O)n3C)C)OC(=O)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 103mg/kg (103mg/kg) BEHAVIORAL: EXCITEMENT

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