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Substance Name: 8-(Hydroxymethyl)theophylline
RN: 2879-16-5
InChIKey: GHYKZCOUOKEWNN-UHFFFAOYSA-N

Molecular Formula

  • C8-H10-N4-O3

Molecular Weight

  • 210.192
 
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Names and Synonyms

Results Name

  • 8-(Hydroxymethyl)theophylline

Synonyms

  • 8-Oxymethyltheophylline
  • NSC 14362
  • NSC 36522

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(hydroxymethyl)-1,3-dimethyl- (9CI)
  • Theophylline, 8-(hydroxymethyl)- (8CI)

Registry Numbers

CAS Registry Number

  • 2879-16-5

System Generated Number

  • 0002879165

Structure Descriptors

InChI

1S/C8H10N4O3/c1-11-6-5(9-4(3-13)10-6)7(14)12(2)8(11)15/h13H,3H2,1-2H3,(H,9,10)

InChIKey

GHYKZCOUOKEWNN-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)CO