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(+/-)-Lisofylline-[d6]

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General Information
Catalog: BLP-013042
CAS: 1185995-26-9
Molecular Formula: C13H14D6N4O3
Molecular Weight: 286.37

Chemical Structure

Description	(+/-)-Lisofylline-[d6] is the labelled analogue of (+/-)-Lisofylline, which is a major oxidative metabolite of Pentoxifylline. Pentoxifylline is a potent inhibitor of phosphatidic acid generation.
Synonyms	Lisofylline-D6; (+/-)-Lisofylline-d6; 3,7-Dihydro-1-(5-hydroxyhexyl)-3,7-(dimethyl-d6)-1H-purine-2,6-dione; 1-(5-Hydroxyhexyl)theobromine-d6; (+/-)-1-(5-Hydroxyhexyl)-3,7-(dimethyl-d6)xanthine; Pentoxifylline-d6 Alcohol; Hydroxypentoxifylline-d6
IUPAC Name	1-(5-hydroxyhexyl)-3,7-bis(trideuteriomethyl)purine-2,6-dione
Related CAS	6493-06-7 (unlabelled)
Canonical SMILES	CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O
InChI	InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/i2D3,3D3
InChI Key	NSMXQKNUPPXBRG-XERRXZQWSA-N
Melting Point	125-127°C
Purity	≥98% by HPLC; ≥99% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly, Sonicated)
Appearance	White to Off-white Solid
Storage	Store at -20°C