Theophylline-7-acetic acid - CAS 652-37-9

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  • Chemical Structure
  • General Information
  • Catalog: BB032679
  • Product Name: Theophylline-7-acetic acid
  • CAS: 652-37-9
  • Synonyms: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
  • Molecular Weight: 238.20
  • Molecular Formula: C9H10N4O4
  • Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O
  • InChI: InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)
  • InChI Key: HCYFGRCYSCXKNQ-UHFFFAOYSA-N
  • Purity: > 95%
  • Description: A metabolite of Dyphylline which is a xanthine derivative used to relieve breathing problems caused by bronchial asthma, chronic bronchitis, or emphysema.

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