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Pentoxifylline-[d6]

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Pentoxifylline-[d6]

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General Information
Catalog: BLP-012515
CAS: 1185878-98-1
Molecular Formula: C13H12D6N4O3
Molecular Weight: 284.34

Chemical Structure

Description	Pentoxifylline-[d6] is the labelled analogue of Pentoxifylline which is a competitive nonselective phosphodiesterase inhibitor.
Synonyms	Pentoxifylline D6
IUPAC Name	1-(5-oxohexyl)-3,7-bis(trideuteriomethyl)purine-2,6-dione
Related CAS	6493-05-6 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])N1C=NC2=C1C(=O)N(C(=O)N2C([2H])([2H])[2H])CCCCC(=O)C
Canonical SMILES	CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C
InChI	InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3/i2D3,3D3
InChI Key	BYPFEZZEUUWMEJ-XERRXZQWSA-N
Boiling Point	531.3±56.0 °C at 760 mmHg
Purity	95% by HPLC; 95% atom D
Density	1.3±0.1 g/cm3
Solubility	In vitro: 10 mM in DMSO
Appearance	Solid powder
Storage	Store at -20°C