7-Hydroxymethyl theophylline

HCID 64134

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Basic information

CAS: 31542-43-5
Standard SMILES: Cn1c(=O)c2c(ncn2CO)n(C)c1=O
InChIKey: QAPJAMJGLYYNHX-UHFFFAOYSA-N
Molecular formula: C8H10N4O3
Average molar mass: 210.19 g/mol
Monoisotopic mass: 210.07529018

Names & identifiers

Preferred name: 7-Hydroxymethyl theophylline
IUPAC: 7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione

Names & synonyms

7-hydroxymethyl theophylline31542-43-5DTXSID30275688RefChem:310877DTXCID002049857-(hydroxymethyl)-1,3-dimethylpurine-2,6-dioneCaffeine Impurity 121H-Purine-2,6-dione, 3,7-dihydro-7-(hydroxymethyl)-1,3-dimethyl-SCHEMBL4650753QAPJAMJGLYYNHX-UHFFFAOYSA-N7-(hydroxymethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione