Theophylline

C₇H₈N₄O₂

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

CAS: 58-55-9

Tổng quan

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

Thành phần

Nguyên tố Ký hiệu Nguyên tử Khối lượng nguyên tử
Hydrogen H 8 1,0080
Carbon C 7 12,0110
Nitrogen N 4 14,0070
Oxygen O 2 15,9990

Thành phần nguyên tố

H
Hydrogen ×8
4,5%
C
Carbon ×7
46,7%
N
Nitrogen ×4
31,1%
O
Oxygen ×2
17,8%

Công dụng

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

Sự thật thú vị

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

An toàn

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

Structure

SMILES

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

Tính chất

Loại
organic
Trạng thái
solid
Khối lượng mol
180,16 g/mol
Mật độ
1,4900 g/cm³
Điểm nóng chảy
273,0 °C
Độ hòa tan
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

Hợp chất liên quan

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).