WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 463107

CAS#: 117490-39-8

Description: Theophylline-d6 is intended for use as an internal standard for the quantification of theophylline by GC- or LC-MS. Theophylline is an inhibitor of phosphodiesterase. It is also an adenosine A1 and A2 receptor antagonist. Theophylline induces relaxation of isolated cat bronchial smooth muscle segments precontracted with acetylcholine. It inhibits ovalbumin-induced increases in bronchoalveolar lavage fluid (BALF) eosinophil infiltration in an ovalbumin-sensitized mouse model of allergic asthma. Formulations containing theophylline have been used in the treatment of asthma and chronic obstructive pulmonary disease (COPD).

Chemical Structure

CAS# 117490-39-8

Theoretical Analysis

MedKoo Cat#: 463107
Name: Theophylline-d6
CAS#: 117490-39-8
Chemical Formula: C7H2D6N4O2
Exact Mass: 186.10
Molecular Weight: 186.204
Elemental Analysis: C, 45.15; H, 7.57; N, 30.09; O, 17.18

Price and Availability

Size Price Availability Quantity
10mg USD -2 2 Weeks
25mg USD -2 2 Weeks
50mg USD -2 2 Weeks
100mg USD -2 2 Weeks
200mg USD -2 2 Weeks
500mg USD -2 2 Weeks
1mg USD 370 2 Weeks
2g USD -2 2 Weeks
5mg USD 880 2 Weeks
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Synonym: Theophylline-d6; 1,3-Dimethylxanthine-d6;

IUPAC/Chemical Name: 1,3-bis(methyl-d3)-3,9-dihydro-1H-purine-2,6-dione


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)/i1D3,2D3

SMILES Code: O=C1N(C(C2=C(N1C([2H])([2H])[2H])NC=N2)=O)C([2H])([2H])[2H]

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Product Data:

Preparing Stock Solutions

The following data is based on the product molecular weight 186.203600000000000000000000000000 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Liu Y, Zhan Y, Zhang YF, Chen XY, Zhong DF. [Quantitative analysis of theophylline and its metabolites in urine of Chinese healthy subjects after oral administration of theophylline sustained-release tablets]. Yao Xue Xue Bao. 2014 Jul;49(7):1039-43. Chinese. PMID: 25233637.