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Substance Name: 7-Allyltheophylline
RN: 61444-26-6
UNII: NC789Z71XR
InChIKey: ZGIBYCLLIMGXEZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H12-N4-O2

Molecular Weight

  • 220.2308
 
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Names and Synonyms

Name of Substance

  • 7-Allyltheophylline

Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-propenyl)-
  • 5-26-13-00565 (Beilstein Handbook Reference)
  • 7-Allyltheophylline
  • BRN 0226015
  • UNII-NC789Z71XR

Systematic Name

  • Theophylline, 7-allyl-

Registry Numbers

CAS Registry Number

  • 61444-26-6

FDA UNII

  • NC789Z71XR

System Generated Number

  • 0061444266

Structure Descriptors

InChI

1S/C10H12N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h4,6H,1,5H2,2-3H3

InChIKey

ZGIBYCLLIMGXEZ-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(CC=C)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 299mg/kg (299mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 343, 1956.
mouse LD50 oral 315mg/kg (315mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 343, 1956.