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Substance Name: Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholino-
RN: 62402-01-1
InChIKey: XTDJYRRJDWTRSJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-N6-O6

Molecular Weight

  • 474.515
 
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Names and Synonyms

Synonyms

  • 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline
  • BRN 1235007
  • D 2928

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 62402-01-1

System Generated Number

  • 0062402011

Structure Descriptors

InChI

1S/C22H30N6O6/c1-25-19-18(20(32)26(2)22(25)33)28(21(24-19)27-8-10-34-11-9-27)7-3-6-23-13-17(31)14-4-5-15(29)16(30)12-14/h4-5,12,17,23,29-31H,3,6-11,13H2,1-2H3

InChIKey

XTDJYRRJDWTRSJ-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(c(n2)N3CCOCC3)CCCNCC(c4ccc(c(c4)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 84mg/kg (84mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 14, 1977.