Molecular Identity
Pentoxifylline
3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
PubChem CID: 4740
Pentoxifylline is an oxopurine.
2D Structure
Properties
C13H18N4O3
Molecular Formula
278.31
Molecular Weight
g/mol
278.1379
Exact Mass
Da
0.3
XLogP
Drug-like (Lipinski: < 5)
75.5
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
426
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CIsomeric SMILES
SMILES: CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CSynonyms(20)
pentoxifylline6493-05-6TrentalOxpentifyllinePentoxilPentoxyphyllinePentoxiphyllin1-(5-Oxohexyl)theobromine3,7-Dihydro-3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)-BL 191BL-191PentoxifilinaOxypentifyllinePentoxifyllinum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pentoxifylline
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