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Substance Name: Theophylline, 7-(2-hydroxy-3-morpholinopropyl)-
RN: 5135-94-4
InChIKey: MPDQZYFYTXUHCN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N5-O4

Molecular Weight

  • 323.351
 
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Names and Synonyms

Synonyms

  • 7-(2-Hydroxy-3-morpholinopropyl)theophylline
  • BRN 0629570

Systematic Name

  • Theophylline, 7-(2-hydroxy-3-morpholinopropyl)-

Registry Numbers

CAS Registry Number

  • 5135-94-4

System Generated Number

  • 0005135944

Structure Descriptors

InChI

1S/C14H21N5O4/c1-16-12-11(13(21)17(2)14(16)22)19(9-15-12)8-10(20)7-18-3-5-23-6-4-18/h9-10,20H,3-8H2,1-2H3

InChIKey

MPDQZYFYTXUHCN-UHFFFAOYSA-N

Smiles

n1(cnc2n(c(n(c(c12)=O)C)=O)C)C[C@@H](CN1CCOCC1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2230mg/kg (2230mg/kg) BEHAVIORAL: EXCITEMENT

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