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Substance Name: Theophylline, 7-(3-(dipropylamino)-2-hydroxypropyl)-
RN: 5096-26-4
InChIKey: LJURWBQQJWAVFJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H27-N5-O3

Molecular Weight

  • 337.4213
 
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Names and Synonyms

Synonyms

  • 5-26-14-00051 (Beilstein Handbook Reference)
  • 7-(3-(Dipropylamino)-2-hydroxypropyl)theophylline
  • BRN 1227149

Systematic Name

  • Theophylline, 7-(3-(dipropylamino)-2-hydroxypropyl)-

Registry Numbers

CAS Registry Number

  • 5096-26-4

System Generated Number

  • 0005096264

Structure Descriptors

InChI

1S/C16H27N5O3/c1-5-7-20(8-6-2)9-12(22)10-21-11-17-14-13(21)15(23)19(4)16(24)18(14)3/h11-12,22H,5-10H2,1-4H3

InChIKey

LJURWBQQJWAVFJ-UHFFFAOYSA-N

Smiles

CCCN(CCC)CC(O)Cn1cnc2N(C)C(=O)N(C)C(=O)c12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
Dissertationes Pharmaceuticae. Vol. 17, Pg. 475, 1965.