Theophylline

C₇H₈N₄O₂

IUPAC: 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione

CAS: 58-55-9

Overview

Theophylline is a methylxanthine found in tea and used to treat asthma by relaxing bronchial smooth muscle. It is chemically similar to caffeine.

Composition

Element Symbol Atoms Atomic Mass
Hydrogen H 8 1.0080
Carbon C 7 12.0110
Nitrogen N 4 14.0070
Oxygen O 2 15.9990

Elemental Composition

H
Hydrogen ×8
4.5%
C
Carbon ×7
46.7%
N
Nitrogen ×4
31.1%
O
Oxygen ×2
17.8%

Uses

  • • Asthma treatment
  • • COPD treatment
  • • Apnea of prematurity

Fun Facts

  • ✦ Found naturally in tea leaves, where it was discovered in 1888 by the German biologist Albrecht Kossel

Safety

  • ⚠ Narrow therapeutic index
  • ⚠ Toxicity at high doses
  • ⚠ Drug interactions

Structure

SMILES

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

Properties

Type
organic
State
solid
Molar Mass
180.16 g/mol
Density
1.4900 g/cm³
Melting Point
273.0 °C
Solubility
7.4 g/L at 25°C

Molecular Descriptors

Exact Mass
180.0647
XLogP
0.0
TPSA
69.3 Ų
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
0
Heavy Atoms
13
Complexity
267.0

Related Compounds

1,2-Dichloroethane

C₂H₄Cl₂

1,3-Butadiene

C₄H₆

1,4-Dioxane

C₄H₈O₂

1-Butanol

C₄H₁₀O

2-Propanol

C₃H₈O

Acetaldehyde

CH₃CHO

Acetamide

C₂H₅NO

Acetic Anhydride

C₄H₆O₃

Acetone

(CH₃)₂CO

Acetonitrile

C₂H₃N

Frequently Asked Questions

What is Theophylline?
Theophylline (C₇H₈N₄O₂) is a organic compound with the IUPAC name 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione.
What is the molecular weight of Theophylline?
Theophylline has a molar mass of 180.16 g/mol.
What state is Theophylline at room temperature?
Theophylline is a solid at room temperature.
Is Theophylline organic or inorganic?
Theophylline is classified as an organic compound.
What elements make up Theophylline?
Theophylline (C₇H₈N₄O₂) is composed of Hydrogen (H), Carbon (C), Nitrogen (N), Oxygen (O).