Theophylline monohydrate

茶碱一水合物

Also known as: 1,3-Dimethylxanthine monohydrate, 1,3-Dimethyl-7H-purine-2,6-dione hydrate, Theophylline hydrous, 1,3-Dimethyl-1H-purine-2,6(3H,7H)-dione hydrate, Theophyline monohydrate

Theophylline monohydrate (CAS 5967-84-0) is a compound in the Organic Bases category listed in the Jingsj chemical database. It has the molecular formula C7H10N4O3 and a molecular weight of 198.17900 g/mol. It is also known as 1,3-Dimethylxanthine monohydrate, 1,3-Dimethyl-7H-purine-2,6-dione hydrate and Theophylline hydrous. Key properties include a melting point of 270-274°C and a boiling point of 454.1ºC at 760 mmHg. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.: 5967-84-0
Jingsj CID: J-39061-9
Molecular Formula: C₇H₁₀N₄O₃
Chinese Name: 茶碱一水合物
Molecular Weight: 198.17900 g/mol
Category: Organic Bases
Last updated: 8/21/2026

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Physicochemical Properties

Melting Point	270-274°C
Boiling Point	454.1ºC at 760 mmHg
Exact Mass	198.07500
PSA	81.91000

Activity & Biological Data

Target	Human Endogenous Metabolite
Additional Information	[1]. Rabe KF, et, al. Theophylline and selective PDE inhibitors as bronchodilators and smooth muscle relaxants. Eur Respir J. 1995 Apr;8(4):637-42. [2]. Chung IY, et, al. The downregulation of Bcl-2 expression is necessary for theophylline-induced apoptosis of eosinophil. Cell Immunol. 2000 Aug 1;203(2):95-102. [3]. Ichiyama T, et, al. Theophylline inhibits NF-kappa B activation and I kappa B alpha degradation in human pulmonary epithelial cells. Naunyn Schmiedebergs Arch Pharmacol. 2001 Dec;364(6):558-61. [4]. Ito K, et, al, Adcock IM, Barnes PJ. A molecular mechanism of action of theophylline: Induction of histone deacetylase activity to decrease inflammatory gene expression. Proc Natl Acad Sci U S A. 2002 Jun 25;99(13):8921-6. [5]. Barnes PJ. Theophylline. Am J Respir Crit Care Med. 2013 Oct 15;188(8):901-6.

Target

Human Endogenous Metabolite

Additional Information

[1]. Rabe KF, et, al. Theophylline and selective PDE inhibitors as bronchodilators and smooth muscle relaxants. Eur Respir J. 1995 Apr;8(4):637-42. [2]. Chung IY, et, al. The downregulation of Bcl-2 expression is necessary for theophylline-induced apoptosis of eosinophil. Cell Immunol. 2000 Aug 1;203(2):95-102. [3]. Ichiyama T, et, al. Theophylline inhibits NF-kappa B activation and I kappa B alpha degradation in human pulmonary epithelial cells. Naunyn Schmiedebergs Arch Pharmacol. 2001 Dec;364(6):558-61. [4]. Ito K, et, al, Adcock IM, Barnes PJ. A molecular mechanism of action of theophylline: Induction of histone deacetylase activity to decrease inflammatory gene expression. Proc Natl Acad Sci U S A. 2002 Jun 25;99(13):8921-6. [5]. Barnes PJ. Theophylline. Am J Respir Crit Care Med. 2013 Oct 15;188(8):901-6.

Customs & Trade Information

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Frequently Asked Questions

What is the CAS number of Theophylline monohydrate?

The CAS number of Theophylline monohydrate is 5967-84-0.

What are the molecular formula and molecular weight of Theophylline monohydrate?

Theophylline monohydrate has molecular formula C7H10N4O3 and molecular weight 198.17900 g/mol.

Data compiled from public chemical databases and supplier catalogs; supplier offers are provided by suppliers.

Last updated: 8/21/2026

How to cite: Jingsj. "Theophylline monohydrate (CAS 5967-84-0)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-39061-9 (accessed 2026-10-28).

Data for reference only; verify specifications, grades and regulatory status with suppliers before purchase.