An Analytical Reference Standard
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23760Theophylline
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Theophylline

Item No. 32993

Product Insert (PDF)GC-MS (PDF)Safety Data Sheet (SDS) (PDF)
Synonyms
Synonyms
  • 1,3-Dimethylxanthine
  • NSC 2066
Technical Information
Formal Name
3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CAS Number
58-55-9
Molecular Formula
C7H8N4O2
Formula Weight
180.2
Purity
≥98%
Formulation
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 10 mg/mlDMSO: 10 mg/mlEthanol: 1 mg/mlPBS (pH 7.2): 1 mg/ml
λmax
271 nm
SMILES
O=C1N(C)C(C(N=CN2)=C2N1C)=O
InChi Code
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
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    Product Description

    Theophylline (Item No. 32993) is an analytical reference standard categorized as a caffeine metabolite.1 Theophylline has been found as an adulterant in seized heroin samples.2 It has also been used as a marker of authentic human urine specimens.1 This product is intended for use in analytical forensic applications. This product is also available as a general research tool (Item No. 23760).

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Goggin, M.M., Tann, C.-M., Miller, A., et al. Catching fakes: New markers of urine sample validity and invalidity. J. Anal. Toxicol. 41(2), 121-126 (2016).

    2. Furst, R.T. The re-engineering of heroin: An emerging heroin "cutting" trend in New York City. Addict. Res. Theory 8(4), 357-379 (2000).