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Theophylline

Catalog Number

ACM58559

CAS

58-55-9

Structure

IUPAC Name

1,3-Dimethyl-7H-purine-2,6-dione

Synonyms

Acet-theocin

Molecular Weight

180.16

Molecular Formula

C7H8N4O2

Canonical SMILES

CN1C2=C(C(=O)N(C1=O)C)NC=N2

InChI

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

InChI Key

ZFXYFBGIUFBOJW-UHFFFAOYSA-N

Boiling Point

312.97 °C

Melting Point

271-273 °C

Flash Point

11 °C

Purity

98%

Density

1.3640 g/cm³

Solubility

Slightly soluble in water

Appearance

White powder

Storage

2-8 °C

Actives

95%

Physical State

Solid

Typical Applications

Use as dispersing agent, emulsion stabilizer.
Use as anticorrosive agent.
Use as antistatic agent.

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

Custom Q&A

What are some synonyms for the product name Theophylline?

1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione; 1,3-dimethyl-xanthin; 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl; 3,7-dihydro-1,3-dimethyl-1h-purine-6-dione; 3h)-dione,1,3-dimethyl-purine-6(1h; 6-dione,3,7-dihydro-1,3-dimethyl-1H-Purine-2; accurbron; Acet-theocin

What is the CAS number for Theophylline?

58-55-9

How is Theophylline used in clinical practice?

Theophylline is used in the management of asthma, treating the reversible component of airway obstruction associated with chronic obstructive pulmonary disease, and relieving dyspnea associated with pulmonary edema from congestive heart failure.

What is the melting point of Theophylline?

271-273 °C

What are the Hazard Codes associated with Theophylline?

Xn, T, F, Xi

What is the main mechanism of action of Theophylline in bronchodilation?

Theophylline inhibits phosphodiesterases responsible for the hydrolysis of cAMP and cGMP, which mediate bronchial smooth muscle relaxation.

How was Theophylline historically used clinically?

Theophylline was first used clinically as a diuretic in 1902 and was later reported for asthma treatment in 1922.

How does Theophylline affect smooth muscle relaxation?

Theophylline can reduce the tension of smooth muscle, dilate the respiratory tract, promote the release of endogenous epinephrine and norepinephrine, and inhibit the release of calcium ions from smooth muscle.

What is the main use of Theophylline according to its safety data?

Theophylline is a bronchodilator used in the treatment of asthma and chronic obstructive pulmonary disease (COPD).

What are some related derivatives of Theophylline?

Aminophylline, dihydroxypropyl theophylline, oxtriphylline, and doxofylline.

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