Pentoxifylline

Molecule SVG Image

Properties Simple | Detailed

Formula C13H18N4O3
IUPAC Name 3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
Molecular Mass 278.307 g·mol−1
Heat of Formation 1271.8 ± 16.7 kJ·mol−1
Dipole Moment 1.60 ± 1.08 D
Volume 301.6 Å 3
Surface Area 275.23 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,3,6-tetrahydro-3,7-dimethyl-1-(5-oxohexyl)-2,6-purindion
  • 1-(5-ketohexyl)-3,7-dimethyl-xanthine
  • 1-(5-oxohexyl)-3,7-dimethylxanthine
  • 1-(5-oxohexyl)theobromine
  • 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-oxo-hexyl)-3,7-dihydro-purine-2,6-dione
  • 3,7-dimethyl-1-(5-oxohexyl) xantine
  • 3,7-dimethyl-1-(5-oxohexyl)-1h,3h-purin-2,6-dione
  • 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1h-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
  • 5-26-14-00081 (beilstein handbook reference)
  • agapurin retard
  • aids-001608
  • aids001608
  • bas 00897429
  • bl 191
  • bpbio1_000167
  • brn 0558929
  • bspbio_000151
  • bspbio_003439
  • c07424
  • cas-1677687
  • ccris 6832
  • d00501
  • dimethyloxohexylxanthine
  • divk1c_000729
  • drg-0117
  • eht 0201
  • einecs 229-374-5
  • eu-0100936
  • idi1_000729
  • kbio1_000729
  • kbio2_001924
  • kbio2_004492
  • kbio2_007060
  • kbio3_002942
  • kbiogr_000893
  • kbioss_001924
  • lopac-p-1784
  • lopac0_000936
  • mls000079026
  • mls000758298
  • ncgc00015801-01
  • ncgc00015801-02
  • ncgc00067069-03
  • ncgc00067069-04
  • ninds_000729
  • nsc 637086
  • nsc637086
  • oxpentifylline
  • pdsp1_001015
  • pdsp2_000999
  • pentoxifilina [inn-spanish]
  • pentoxifyllin
  • pentoxifylline
  • pentoxifylline (jan/usp/inn)
  • pentoxifylline [usan:inn:jan]
  • pentoxifyllinum [inn-latin]
  • pentoxil (tn)
  • pentoxiphyllin
  • pentoxiphylline
  • pentoxiphyllium
  • pentoxyfylline
  • pentoxyphyllin
  • pentoxyphylline
  • pnx
  • prestwick0_000196
  • prestwick1_000196
  • prestwick2_000196
  • prestwick3_000196
  • prestwick_608
  • px
  • rentylin
  • smr000035998
  • spbio_001221
  • spbio_002072
  • spectrum1503611
  • spectrum2_001181
  • spectrum3_001820
  • spectrum4_000227
  • spectrum5_001161
  • spectrum_001444
  • sr-01000075641-4
  • st5242554
  • theobromine, 1-(5-oxohexyl)-
  • torental
  • trental
  • trental (tn)
  • vasofirin
  • vazofirin
  • zinc01530776
CAS Number(s)
  • 6493-05-6
InChIKey BYPFEZZEUUWMEJ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C O N