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Substance Name: Theophylline, 7-(3-((2-hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)-
RN: 62401-89-2
InChIKey: SYGFPBTXRCCAFS-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

  • 5-26-14-00031 (Beilstein Handbook Reference)
  • 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline
  • BRN 0861638
  • D 5905

Systematic Name

  • Theophylline, 7-(3-((2-hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)-

Registry Numbers

CAS Registry Number

  • 62401-89-2

System Generated Number

  • 0062401892

Structure Descriptors

InChI

1S/C19H25N5O4/c1-12(20-10-15(26)13-4-6-14(25)7-5-13)8-9-24-11-21-17-16(24)18(27)23(3)19(28)22(17)2/h4-7,11-12,15,20,25-26H,8-10H2,1-3H3

InChIKey

SYGFPBTXRCCAFS-UHFFFAOYSA-N

Smiles

CC(CCn1cnc2N(C)C(=O)N(C)C(=O)c12)NCC(O)c3ccc(O)cc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 154mg/kg (154mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 14, 1977.