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Substance Name: Theophylline, 7-(3-(diethylamino)-2-hydroxypropyl)-
RN: 5096-25-3
InChIKey: MDBUFZGCCAQYOS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H23-N5-O3

Molecular Weight

  • 309.3677
 
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Names and Synonyms

Synonyms

  • 1H-Purine-2,6-dione, 7-(3-(diethylamino)-2-hydroxypropyl)-3,7-dihydro-1,3-dimethyl-
  • 5-26-14-00051 (Beilstein Handbook Reference)
  • 7-(3-(Diethylamino)-2-hydroxypropyl)theophylline
  • BRN 0625560

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 5096-25-3

System Generated Number

  • 0005096253

Structure Descriptors

InChI

1S/C14H23N5O3/c1-5-18(6-2)7-10(20)8-19-9-15-12-11(19)13(21)17(4)14(22)16(12)3/h9-10,20H,5-8H2,1-4H3

InChIKey

MDBUFZGCCAQYOS-UHFFFAOYSA-N

Smiles

CCN(CC)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 580mg/kg (580mg/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.