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Merck
CN

T7770

Supelco

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
Beilstein:
13463
EC Number:
200-385-7
MDL number:
MFCD00079619
UNSPSC Code:
41116107
PubChem Substance ID:
24900474

Key Documents

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grade

analytical standard
anhydrous

packaging

vial of 250 mg

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

format

neat

SMILES string

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

InChI

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

InChI key

ZFXYFBGIUFBOJW-UHFFFAOYSA-N

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

Signal Word

Danger

Hazard Statements

H301,H360D

Hazard Classifications

Acute Tox. 3 Oral - Repr. 1B

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
053H5952
011K8800

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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)
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)
Dosage of theophylline in bronchial asthma.
Piafsky KM and Ogilvie IR
The New England Journal of Medicine, 292(23), 1218-1222 (1975)
Rania O Salama et al.
Drug delivery and translational research, 4(3), 256-267 (2015-03-20)
A novel approach to concurrently deliver oral and inhaled drugs as a single formulation is presented. A triple therapy containing theophylline (THEO; orally delivered) with budesonide (BUD) and terbutaline (TERB; as single and co-spray-dried inhaled powders) was prepared as an
Manja Wachsmuth et al.
Nucleic acids research, 41(4), 2541-2551 (2013-01-01)
Riboswitches are regulatory RNA elements typically located in the 5'-untranslated region of certain mRNAs and control gene expression at the level of transcription or translation. These elements consist of a sensor and an adjacent actuator domain. The sensor usually is
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