structure of Theophylline sodium

Theophylline sodium

CAS No.: 3485-82-3
M. Wt: 202.14600
M. Fa: C7H7N4NaO2
InChI Key: QVGLHVDBDYLFON-UHFFFAOYSA-M

Names and Identifiers of Theophylline sodium

CAS Number

3485-82-3

EC Number

222-472-9

IUPAC Name

sodium;1,3-dimethylpurin-7-ide-2,6-dione

InChI

InChI=1S/C7H8N4O2.Na/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h3H,1-2H3,(H,8,9,12);/q;+1/p-1

InChIKey

QVGLHVDBDYLFON-UHFFFAOYSA-M

Canonical SMILES

CN1C2=C(C(=O)N(C1=O)C)[N-]C=N2.[Na+]

Physical and chemical properties of Theophylline sodium

Boiling Point

271.1ºC at 760mmHg

Exact Mass

202.04700

Flash Point

117.8ºC

Molecular Formula

C7H7N4NaO2

Molecular Weight

202.14600

PSA

69.78000

Applications of Theophylline sodium

The primary applications of theophylline sodium include:

  • Respiratory Therapy: Used extensively for managing asthma and COPD due to its bronchodilatory effects.
  • Intravenous Administration: Its enhanced solubility allows for effective intravenous delivery in acute respiratory distress situations.
  • Research: Investigated for potential roles in various inflammatory conditions due to its anti-inflammatory properties.

Interaction Studies of Theophylline sodium

Theophylline sodium interacts with various substances that can affect its efficacy and safety:

  • Drug Interactions: Co-administration with other medications such as certain antibiotics (e.g., erythromycin) or antiepileptics (e.g., phenytoin) can alter its metabolism, necessitating dosage adjustments.
  • Food Interactions: Alcohol consumption may reduce clearance rates, increasing serum concentrations and risk of toxicity. Additionally, caffeine can exacerbate side effects due to similar pharmacological actions.

Biological Activity of Theophylline sodium

Theophylline sodium exhibits several biological activities that make it therapeutically valuable:

  • Bronchodilation: It relaxes bronchial smooth muscle, making it effective in treating conditions like asthma and chronic obstructive pulmonary disease (COPD) by improving airflow.
  • Diuretic Effects: The compound has diuretic properties, which can aid in managing fluid retention.
  • CNS Stimulation: Theophylline sodium stimulates the central nervous system, which can enhance alertness and reduce fatigue.