Pentoxifylline

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Systematic / IUPAC Name: 3,7-Dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione

ID: Reference4973

Other Names: Agapurin;
Agapurin retard;
Agapurin SR;
Angiopent;
Aotong ; more

Formula: C13H18N4O3

Class: Therapeutics/Prescription Drugs Sports Doping Drugs Industrial Chemicals

Spectral Data

Pentoxifylline mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos
No. of Spectral Trees 1
No. of Spectra 558
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 6/6/2016 5:25:49 AM
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Identificators

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
InChI Key BYPFEZZEUUWMEJ-UHFFFAOYSA-N
Canonical SMILES CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C
CAS 6493056
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Other Names Agapurin;
Agapurin retard;
Agapurin SR;
Angiopent;
Aotong;
Azupentat;
Behrifil;
Claudicat;
Durapental;
Elorgan;
Endopentoksas;
Oxpentifylline;
Pentilin;
Pentoflux;
Pentofyllin;
Pentoksifilin;
Pentolab;
Pentomer;
Pentoxifilina;
Pentoxifyllin;
Pentoxifyllinum;
Pentoxil (TN);
Pentoxiphyllin;
Pentoxiphylline;
Pentoxiphyllium;
Pentoxyfilline;
Pentoxyfylline;
Pentoxyphyline;
Pentoxyphyllin;
Pentoxyphylline;
Rentylin;
Torental;
Trental (TN);
Trentilin retard;
Vasofirin;
1-(5-Oxohexyl)-3,7-dimethylxanthine;
1-(5-Oxohexyl)theobromine;
1,2,3,6-Tetrahydro-3,7-dimethyl-1-(5-oxohexyl)-2,6-purindion;
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)-;
3,7-Dihydro-3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione;
3,7-Dimethyl-1-(5-oxohexyl)-1,3,7-trihydropurine-2,6-dione;
3,7-Dimethyl-1-(5-oxohexyl)-1H,3H-purin-2,6-dione;
3,7-Dimethyl-1-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione;
3,7-Dimethyl-1-(5-oxo-hexyl)-3,7-dihydro-purine-2,6-dione;
3,7-Dimethyl-1-(5-oxohexyl)purine-2,6-dione;
3,7-Dimethyl-1-(5-oxohexyl)xanthine;
3,7-Dimethyl-1-(5-oxohexyl)xantine;
Dimethyloxohexylxanthine;
Theobromine, 1-(5-oxohexyl)-;
Vazofirin

In Other Databases

ChemIDPlus 006493056
Wikipedia Pentoxifylline
ChEMBL CHEMBL628
ChemSpider 4578
PubChem 4740
ChEBI CHEBI:7986
DrugBank DB00806
HMDb HMDB14944
KEGG C07424; D00501