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Substance Name: Theophylline, 7-(3-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)propyl)-
RN: 74051-78-8
InChIKey: LAFLZDCWCYTSOV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H25-N5-O4

Molecular Weight

  • 387.4375
 
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Names and Synonyms

Synonyms

  • 5-26-14-00025 (Beilstein Handbook Reference)
  • 7-(3-((3-(3,4-Dihydroxyphenyl)-2-propyl)amino)propyl)theophylline
  • BRN 1231445
  • D 989

Systematic Name

  • Theophylline, 7-(3-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)propyl)-

Registry Numbers

CAS Registry Number

  • 74051-78-8

System Generated Number

  • 0074051788

Structure Descriptors

InChI

1S/C19H25N5O4/c1-12(9-13-5-6-14(25)15(26)10-13)20-7-4-8-24-11-21-17-16(24)18(27)23(3)19(28)22(17)2/h5-6,10-12,20,25-26H,4,7-9H2,1-3H3

InChIKey

LAFLZDCWCYTSOV-UHFFFAOYSA-N

Smiles

CC(Cc1ccc(O)c(O)c1)NCCCn2cnc3N(C)C(=O)N(C)C(=O)c23

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 212mg/kg (212mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 14, 1977.