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Merck
CN

T7770

Theophylline

anhydrous, analytical standard

Synonym(s):

1,3-Dimethylxanthine, 2,6-Dihydroxy-1,3-dimethylpurine, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione

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About This Item

Empirical Formula (Hill Notation):
C7H8N4O2
CAS Number:
58-55-9
Molecular Weight:
180.16
EC Number:
200-385-7
UNSPSC Code:
41116107
PubChem Substance ID:
24900474
Beilstein/REAXYS Number:
13463
MDL number:
MFCD00079619

Key Documents

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InChI key

ZFXYFBGIUFBOJW-UHFFFAOYSA-N

InChI

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

SMILES string

CN1C(=O)N(C)c2[nH]cnc2C1=O

grade

analytical standard, anhydrous

packaging

vial of 250 mg

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

format

neat

Gene Information

human ... PDE3A(5139), PDE4B(5142)

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General description

Theophylline is a naturally occurring alkaloid showing bronchodilator effects.

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Theophylline may be used as a reference standard in the determination of theophylline in:
  • blood and tissue samples using the spectrophotometric technique
  • food, beverages and herbal products using high-performance liquid chromatography (HPLC)
  • plasma samples using high-performance liquid chromatography coupled with an ultraviolet detector (HPLC-UV)

Biochem/physiol Actions

Phosphodiesterase inhibitor; diuretic; cardiac stimulant; muscle relaxant; asthma medication.

Packaging

Supplied in amber screw-cap vials

pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Repr. 1B

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
053H5952
011K8800

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An ultraviolet spectrophotometric method for the determination of theophylline and theobromine in blood and tissues.
Schack AJ and Waxler HS
Journal of Pharmacology and Experimental Therapeutics, 97(3), 283-291 (1949)
A simple and rapid HPLC/UV method for the simultaneous quantification of theophylline and etofylline in human plasma.
Nirogi SVR, et al.
Journal of Chromatography. B, Biomedical Sciences and Applications, 848(2), 271-276 (2007)
Dosage of theophylline in bronchial asthma.
Piafsky KM and Ogilvie IR
The New England Journal of Medicine, 292(23), 1218-1222 (1975)
Mazen Al-Alawi et al.
The American journal of medicine, 127(5), 370-378 (2014-01-02)
Global estimates on aging predict an increased burden of asthma in the older population. Consequently, its recognition, diagnosis, and management in clinical practice require optimization. This review aims to provide an update for clinicians, highlighting advances in the understanding of
F S F Ram et al.
Respiratory medicine, 99(2), 135-144 (2005-02-18)
To determine the efficacy of oral theophylline compared with placebo in people with stable chronic obstructive pulmonary disease (COPD). Systematic review of randomized-controlled trials comparing oral theophylline with placebo for a minimum of 7 days in people with stable COPD.
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