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Substance Name: 7-(p-Aminophenyl)theophylline
RN: 963-48-4
InChIKey: UZGPMRNAUABIIA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-N5-O2

Molecular Weight

  • 271.2787
 
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Names and Synonyms

Results Name

  • 7-(p-Aminophenyl)theophylline

Synonyms

  • 3,7-Dihydro-7-(4-aminophenyl)-1,3-dimethyl-1H-purine-2,6-dione
  • 5-26-14-00037 (Beilstein Handbook Reference)
  • 7-(p-Aminofenil)teofillina
  • 7-(p-Aminofenil)teofillina [Italian]
  • BRN 0562232
  • Theophylline, 7-(p-aminophenyl)-

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-1,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 963-48-4

System Generated Number

  • 0000963484

Structure Descriptors

InChI

1S/C13H13N5O2/c1-16-11-10(12(19)17(2)13(16)20)18(7-15-11)9-5-3-8(14)4-6-9/h3-7H,14H2,1-2H3

InChIKey

UZGPMRNAUABIIA-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(c3ccc(N)cc3)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Farmaco, Edizione Scientifica. Vol. 34, Pg. 890, 1979.