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Substance Name: Theophylline isopropanolamine
RN: 5600-19-1
UNII: UBN5I4OP1X
InChIKey: QFJDTNNSYMKICD-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-N4-O2.C3-H9-N-O

Molecular Weight

  • 255.2763
 
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Names and Synonyms

Name of Substance

  • Theophylline isopropanolamine

Synonyms

  • EINECS 227-017-8
  • UNII-UBN5I4OP1X

Systematic Name

  • 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, compound with 1-aminopropan-2-ol (1:1)

Registry Numbers

CAS Registry Number

  • 5600-19-1

FDA UNII

  • UBN5I4OP1X

System Generated Number

  • 0005600191

Molecular Formulas

Molecular Formula

  • C7-H8-N4-O2.C3-H9-N-O

Molecular Formula Fragments

  • C3-H9-N-O
  • C7-H8-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C7H8N4O2.C3H9NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-3(5)2-4/h3H,1-2H3,(H,8,9);3,5H,2,4H2,1H3

InChIKey

QFJDTNNSYMKICD-UHFFFAOYSA-N

Smiles

CC(O)CN.CN1C(=O)N(C)c2nc[nH]c2C1=O