1-(3-Carboxypropyl)-3,7-dimethylxanthine
Product Code
TRC-C181235
CAS Number
Product Format
Neat
Molecular Formula
C11 H14 N4 O4
Molecular Weight
266.25
API Family
PentoxifyllineProduct Categories
TRC, Analgesics, Analgesics, Impurity Reference Materials , Forensic and Toxicology Reference Materials, Analgesics
Product Type
MetaboliteDrug Type
Other Drugs & Biomarkers
Documentation
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Product Information
Chemical Data
Analyte Name
1-(3-Carboxypropyl)-3,7-dimethylxanthine
CAS Number
6493-07-8
Molecular Formula
C11 H14 N4 O4
Molecular Weight
266.25
Accurate Mass
266.1015
SMILES
CN1C(=O)N(CCCC(=O)O)C(=O)c2c1ncn2C
InChI
InChI=1S/C11H14N4O4/c1-13-6-12-9-8(13)10(18)15(11(19)14(9)2)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)
IUPAC
4-(3,7-dimethyl-2,6-dioxopurin-1-yl)butanoic acid
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
API Family
Product Description
A metabolite of Pentoxifylline (P276500).
References: Yamaoka, K., et al.: J. Pharmacokin. Biopharm., 6, 165 (1978), Cottam, H.B., et al.: J. Med. Chem., 39, 2 (1996), Janvilisri, T., et al.: J. Biol. Chem., 278, 20645 (2003),