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Substance Name: Theophylline diethanolamine
RN: 32156-80-2
UNII: X3D62BXX1R
InChIKey: XYBFIZMXHHNHKG-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-N4-O2.C4-H11-N-O2

Molecular Weight

  • 285.3021
 
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Names and Synonyms

Results Name

  • Theophylline diethanolamine

Name of Substance

  • Deriphyllin

Synonyms

  • Hydroxyethyltheophylline complet
  • Theophylline diethanolamine
  • Theophylline, compd. with 2,2'-iminodiethamol (1:1)
  • UNII-X3D62BXX1R

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 2,2'-iminobis(ethanol) (1:1)
  • Ethanol, 2,2'-iminobis-, compd. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)

Registry Numbers

CAS Registry Number

  • 32156-80-2

FDA UNII

  • X3D62BXX1R

System Generated Number

  • 0032156802

Molecular Formulas

Molecular Formula

  • C7-H8-N4-O2.C4-H11-N-O2

Molecular Formula Fragments

  • C4-H11-N-O2
  • C7-H8-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C7H8N4O2.C4H11NO2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;6-3-1-5-2-4-7/h3H,1-2H3,(H,8,9);5-7H,1-4H2

InChIKey

XYBFIZMXHHNHKG-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)[nH]cn2.C(CO)NCCO