CHEBI:7986 - Pentoxifylline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Pentoxifylline
ChEBI ID CHEBI:7986
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C13H18N4O3
C13H18N4O3
Net Charge 0
Average Mass 278.308
Monoisotopic Mass 278.138
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
InChIKey BYPFEZZEUUWMEJ-UHFFFAOYSA-N
SMILES CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O
ChEBI Ontology
Outgoing Pentoxifylline (CHEBI:7986) is a oxopurine (CHEBI:25810)
Synonyms Sources
azupentat DrugCentral
dimethyloxohexylxanthine DrugCentral
oxpentifylline DrugCentral
pentoxifyllin DrugCentral
Pentoxifylline KEGG COMPOUND
Manual Xrefs Databases
2099 DrugCentral
C07424 KEGG COMPOUND
D00501 KEGG DRUG
LSM-3285 LINCS
PNX PDBeChem
View more database links
Registry Number Type Source
6493-05-6 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017