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Substance Name: Theophylline, 7-(2-hydroxy-3-(1-pyrrolidinyl)propyl)-
RN: 5135-92-2
InChIKey: RYLZSSCIDKBMID-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N5-O3

Molecular Weight

  • 307.352
 
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Names and Synonyms

Synonyms

  • 5-26-14-00055 (Beilstein Handbook Reference)
  • 7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline
  • BRN 0626579

Systematic Name

  • Theophylline, 7-(2-hydroxy-3-(1-pyrrolidinyl)propyl)-

Registry Numbers

CAS Registry Number

  • 5135-92-2

System Generated Number

  • 0005135922

Structure Descriptors

InChI

1S/C14H21N5O3/c1-16-12-11(13(21)17(2)14(16)22)19(9-15-12)8-10(20)7-18-5-3-4-6-18/h9-10,20H,3-8H2,1-2H3

InChIKey

RYLZSSCIDKBMID-UHFFFAOYSA-N

Smiles

n1(cnc2n(C)c(=O)n(C)c(=O)c12)C[C@@H](CN1CCCC1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Dissertationes Pharmaceuticae. Vol. 17, Pg. 475, 1965.