Theophylline

C₇H₈N₄O₂

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

CAS: 58-55-9

概述

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

组成

元素 符号 原子 原子质量
Hydrogen H 8 1.0080
Carbon C 7 12.0110
Nitrogen N 4 14.0070
Oxygen O 2 15.9990

元素组成

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

用途

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

趣味知识

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

安全性

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

Structure

SMILES

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

属性

类型
organic
状态
solid
摩尔质量
180.16 g/mol
密度
1.4900 g/cm³
熔点
273.0 °C
溶解度
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

相关化合物

Caffeine

C₈H₁₀N₄O₂

Coumarin

C₉H₆O₂

Acetone

(CH₃)₂CO

Acrylic Acid

C₃H₄O₂

Cysteine

C₃H₇NO₂S

DDT

C₁₄H₉Cl₅

Alanine

C₃H₇NO₂

Diazepam

C₁₆H₁₃ClN₂O

Dichloromethane

CH₂Cl₂

Butane

C₄H₁₀

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).