Compound: pentoxifylline
SMILES: O=c1n(c(=O)c2n(C)cnc2n1C)CCCCC(=O)C
InChIKey: BYPFEZZEUUWMEJ-UHFFFAOYSA-N
Synonyms: pentoxifylline, 6493-05-6, Trental, Oxpentifylline, Pentoxil, Pentoxyphylline, Pentoxiphyllin, 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)-, 1-(5-Oxohexyl)theobromine, BL 191, BL-191, Pentoxifilina, 3,7-Dihydro-3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione, Oxypentifylline, Pentoxifyllinum, DTXSID7023437, SD6QCT3TSU, NSC637086, 3,7-dimethyl-1-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, NSC-637086, NSC-758481, C04AD03, 1,2,3,6-Tetrahydro-3,7-dimethyl-1-(5-oxohexyl)-2,6-purindion, DTXCID803437, BL191, pentoxifillina, Neotren mr, Trental 100, Trental 400, RefChem:57078, 229-374-5, Pentoxifyllin, Torental, Vazofirin, 3,7-Dimethyl-1-(5-oxohexyl)xanthine, Dimethyloxohexylxanthine, Pentoxiphyllium, Pentoxyfylline, Pentoxiphylline, Rentylin, 3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione, 3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6(3H,7H)-dione, Pentoxyphyllin, 3,7-Dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione, Pentoxyfilline, 1-(5-Oxohexyl)-3,7-dimethylxanthine, MFCD00063379, Theobromine, 1-(5-oxohexyl)-, CHEMBL628, NSC 637086, 3,7-Dimethyl-1-(5-oxohexyl)-1H,3H-purin-2,6-dione, MLS000079026, Azupentat, EHT 0202, NCGC00015801-02, Durapental, SMR000035998, PNX, Hemovas, Ralofect, Vasofirin, Ikomio, Agapurin Retard, Pentoxifilina [INN-Spanish], Pentoxifyllinum [INN-Latin], Pentoxil (TN), Trental (TN), CAS-6493-05-6, EHT0201, SR-01000075641, 3,7-Dimethyl-1-(5-oxohexyl)xantine, 3,7-Dimethyl-1-(5-oxohexyl) xantine, Pentoxyifylline, Pentopak, Azupentat;, CCRIS 6832, Pentoflux;, Agapurin;, Torental;, Pentoxifylline (JAN/USP/INN), 3arr, 3aru, 3tvx, EHT-201, Pentoxifylline CRS, PTX;Oxpentifylline, EHT-0201, Prestwick_608, EINECS 229-374-5, PTXF, BRN 0558929, Spectrum_001444, 2a3c, UNII-SD6QCT3TSU, Opera_ID_1800, Prestwick0_000196, Prestwick1_000196, Prestwick2_000196, Prestwick3_000196, Spectrum2_001181, Spectrum3_001820, Spectrum4_000227, Spectrum5_001161, Lopac-P-1784, Pentoxifylline (Standard), P 1784, PENTOXIFYLLINE [MI], PENTOXIFYLLINE [INN], PENTOXIFYLLINE [JAN], Lopac0_000936, SCHEMBL34039, 1-(5-Oxohexyl)-theobromine, BSPBio_000151, BSPBio_003439, KBioGR_000893, KBioSS_001924, PENTOXIFYLLINE [USAN], MLS000758298, MLS001201764, MLS001424051, BIDD:GT0174, DivK1c_000729, PENTOXIFYLLINE [VANDF], SPECTRUM1503611, SPBio_001221, SPBio_002072, PENTOXIFYLLINE [MART.], BPBio1_000167, CHEBI:7986, GTPL7095, orb1310971, PENTOXIFYLLINE [USP-RS], PENTOXIFYLLINE [WHO-DD], BDBM10850, HMS502E11, HY-B0715R, KBio1_000729, KBio2_001924, KBio2_004492, KBio2_007060, KBio3_002942, MSK9064, NINDS_000729, GLXC-15427, HMS1568H13, HMS1922E16, HMS2051N06, HMS2090H13, HMS2093G21, HMS2095H13, HMS2235C16, HMS3262L14, HMS3370D09, HMS3393N06, HMS3712H13, HMS5083E13, Pharmakon1600-01503611, Pentoxifylline - Bio-X trade mark, HY-B0715, PENTOXIFYLLINE [ORANGE BOOK], Tox21_110223, Tox21_500936, BBL016497, CCG-36382, EBC-12154, NSC758481, PDSP1_001015, PDSP2_000999, PENTOXIFYLLINE [EP MONOGRAPH], STK177321, PENTOXIFYLLINE [USP MONOGRAPH], AKOS000541484, Tox21_110223_1, AC-8381, DB00806, FP26823, LP00936, NC00255, SDCCGSBI-0050910.P004, 3,7-dimethyl-1-(5-oxohexyl)-xanthine, CAS-1677687, IDI1_000729, NCGC00015801-01, NCGC00015801-03, NCGC00015801-04, NCGC00015801-05, NCGC00015801-06, NCGC00015801-07, NCGC00015801-08, NCGC00015801-09, NCGC00015801-10, NCGC00015801-12, NCGC00015801-17, NCGC00015801-21, NCGC00067069-02, NCGC00067069-03, NCGC00067069-04, NCGC00067069-05, NCGC00178062-01, NCGC00178062-02, NCGC00261621-01, AS-13662, BP166188, Pentoxifylline [USAN:USP:INN:BAN:JAN], SY055216, SBI-0050910.P003, 1-(5-oxohexyl)theobromine (pentoxifylline), AB00052363, EU-0100936, NS00010010, P2050, S4345, ST50242554, SW196777-4, C07424, D00501, D70138, AB00052363-17, AB00052363_18, AB00052363_21, 5-26-14-00081 (Beilstein Handbook Reference), EN300-18527828, Q416331, 3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione, SR-01000075641-1, SR-01000075641-4, SR-01000075641-7, SR-01000075641-9, BRD-K57569181-001-05-1, BRD-K57569181-001-16-8, BRD-K57569181-001-26-7, BRD-K57569181-001-27-5, Z1741982628, 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydropurine-2,6-dione, 3,7-dimethyl-1-(5-oxohexyl)-1,3,7-trihydropurine-2,6-dione, 3,7-Dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione #, Px
Theoretical properties:
molecular_formula: C13H18N4O3
molecular_weight: 278.31 g/mol
exact_mass: 278.13789045 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 5
heavy_atom_count: 20
topological_polar_surface_area: 75.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Pentoxifylline is an oxopurine.
chembl: PENTOXIFYLLINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Pentoxifylline, also known as oxpentifylline, is a xanthine derivative used as a drug to treat muscle pain in people with peripheral artery disease. It was approved for medical use in 1984 and is available as generic and sold under many brand names worldwide like Trental.