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Substance Name: Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)-
RN: 62402-02-2
InChIKey: HCWKXSUBVVTQEX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H32-N6-O6

Molecular Weight

  • 488.5418
 
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Names and Synonyms

Synonyms

  • BRN 1234993
  • D 3206

Systematic Name

  • Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)-

Registry Numbers

CAS Registry Number

  • 62402-02-2

System Generated Number

  • 0062402022

Structure Descriptors

InChI

1S/C23H32N6O6/c1-14-13-28(9-10-35-14)22-25-20-19(21(33)27(3)23(34)26(20)2)29(22)8-4-7-24-12-18(32)15-5-6-16(30)17(31)11-15/h5-6,11,14,18,24,30-32H,4,7-10,12-13H2,1-3H3

InChIKey

HCWKXSUBVVTQEX-UHFFFAOYSA-N

Smiles

CC1CN(CCO1)c2nc3N(C)C(=O)N(C)C(=O)c3n2CCCNCC(O)c4ccc(O)c(O)c4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 130mg/kg (130mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 14, 1977.