Structure

Theophylline-d6

CAS
117490-39-8
Catalog Number
ACM117490398
Category
Inhibitors
Molecular Weight
186.20
Molecular Formula
C7H2D6N4O2

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Specification

Description
Theophylline-d6 is the deuterium labeled Theophylline. Theophylline is a nonselective phosphodiesterase (PDE) inhibitor, adenosine receptor blocker, and histone deacetylase (HDAC) activator.
Synonyms
3,9-Dihydro-1,3-dimethyl-
IUPAC Name
1,3-bis(trideuteriomethyl)-7H-purine-2,6-dione
SMILES
O=C(N1C([2H])([2H])[2H])N(C([2H])([2H])[2H])C2=C(N=CN2)C1=O
InChI Key
ZFXYFBGIUFBOJW-WFGJKAKNSA-N
Appearance
White to Off-White Solid
Storage
Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
Exact Mass
186.10200
H-Bond Acceptor
3
H-Bond Donor
1
Shipping
Can be shipped at room temperature, where not in use may vary.

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