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Pentoxifylline-[d5]

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Pentoxifylline-[d5]

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General Information
Catalog: BLP-012514
CAS: 1185995-18-9
Molecular Formula: C13H13D5N4O3
Molecular Weight: 283.34

Chemical Structure

Description	Pentoxifylline-[d5] is the labelled analogue of Pentoxifylline. Pentoxifylline can be used for the treatment of muscle pain in people with peripheral artery disease.
Synonyms	Pentoxifylline D5
IUPAC Name	3,7-dimethyl-1-(4,4,6,6,6-pentadeuterio-5-oxohexyl)purine-2,6-dione
Related CAS	6493-05-6 (unlabelled)
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/i1D3,6D2
InChI Key	BYPFEZZEUUWMEJ-YRYIGFSMSA-N
Boiling Point	531.3±56.0 °C at 760 mmHg
Melting Point	171 °C
Flash Point	347.6±30.4 °C
Purity	95% by HPLC; 98% atom D
Density	1.3±0.1 g/cm3
Solubility	In vitro: 10 mM in DMSO
Appearance	Solid powder
Storage	Store at -20°C