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Substance
ID:355891
Structure
Similarity
Functional Group
Text
ID:162
Theophylline
Sigma Aldrich
ID: 88308
Names and Identifiers
Synonyms
2,6-Dihydroxy-1,3-dimethylpurine
3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione
1,3-Dimethylxanthine
Theophylline
IUPAC name
1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
IUPAC Traditional name
constant-T
Registration numbers
CAS Number
58-55-9
Beilstein Number
13463
MDL Number
MFCD00079619
EC Number
200-385-7
Properties
Safety Information
GHS Hazard statements
H301
Risk Statements
22
GHS Precautionary statements
P301+P310
GHS Signal Word
Danger
European Hazard Symbols
Harmful (Xn)
Hazard Class
6.1
Packing Group
3
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
MSDS Link
Download link
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
German water hazard class
1
RID/ADR
UN 2811 6.1/PG 3
RTECS
XH3850000
UN Number
2811
Pharmacology Properties
Gene Information
human ... ADORA2B(136), PDE3A(5139), PDE4B(5142)
Product Information
Purity
≥99.0% (HPLC)
Loss on Drying
≤0.5% loss on drying
Empirical Formula (Hill Notation)
C7H8N4O2
Physical Property
Melting Point
271-273 °C
Molecule Details
Biochem/physiol Actions
Phosphodiesterase inhibitor; diuretic; cardiac stimulant; muscle relaxant; asthma medication.
Other Notes
Potent competitive inhibitor of cAMP phosphodiesterase1
Molecular Spectra
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References
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