Compound Summary
pentoxifylline
Compound Information
pentoxifylline
Compound Name: | pentoxifylline |
Compound CID: | 4740 |
Synonyms: | pentoxifylline Trental 6493-05-6 Oxpentifylline Pentoxifyllin More... |
Iupac Name: | 3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione |
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 |
Canonical Smiles: | CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C |
Isomeric Smiles: | CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C |
Molecular Weight: | 278.31 |
Molecular Formula: | C13H18N4O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
pentoxifylline
Molecular Weight: | 278.31 |
Molecular Formula: | C13H18N4O3 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 20 |
Complexity: | 426 |
Synonyms
pentoxifylline
| pentoxifylline | pentoxifylline |
|---|---|
pentoxifylline |
Trental |
6493-05-6 |
Oxpentifylline |
Pentoxifyllin |
Torental |
Pentoxyphylline |
Dimethyloxohexylxanthine |
Pentoxiphyllium |
Vazofirin |
3,7-Dimethyl-1-(5-oxohexyl)xanthine |
Pentoxiphylline |
Rentylin |
3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione |
BL 191 |
BL-191 |
Pentoxyphyllin |
3,7-Dihydro-3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione |
1-(5-Oxohexyl)theobromine |
3,7-Dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione |
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)- |
Pentoxyfilline |
1-(5-Oxohexyl)-3,7-dimethylxanthine |
Theobromine, 1-(5-oxohexyl)- |
SD6QCT3TSU |
UNII-SD6QCT3TSU |
3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6(3H,7H)-dione |
MFCD00063379 |
NSC637086 |
CHEMBL628 |
NSC 637086 |
3,7-Dimethyl-1-(5-oxohexyl)-1H,3H-purin-2,6-dione |
MLS000079026 |
CHEBI:7986 |
Pentoxyfylline |
Azupentat |
1,2,3,6-Tetrahydro-3,7-dimethyl-1-(5-oxohexyl)-2,6-purindion |
EHT 0202 |
NSC-637086 |
NCGC00015801-02 |
Durapental |
SMR000035998 |
3,7-dimethyl-1-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione |
DSSTox_CID_3437 |
DSSTox_RID_77028 |
DSSTox_GSID_23437 |
PNX |
Pentoxifyllinum |
Pentoxifilina |
Pentoxiphyllin |
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 |
CCRIS 6832 |
Pentoxifylline (JAN/USP/INN) |
3arr |
3aru |
3tvx |
C04AD03 |
EHT-201 |
PTX;Oxpentifylline |
EHT-0201 |
Prestwick_608 |
EINECS 229-374-5 |
Pentoxifylline,(S) |
BRN 0558929 |
Spectrum_001444 |
2a3c |
Opera_ID_1800 |
Prestwick0_000196 |
Prestwick1_000196 |
Prestwick2_000196 |
Prestwick3_000196 |
Spectrum2_001181 |
Spectrum3_001820 |
Spectrum4_000227 |
Spectrum5_001161 |
Lopac-P-1784 |
P 1784 |
Lopac0_000936 |
SCHEMBL34039 |
BSPBio_000151 |
BSPBio_003439 |
KBioGR_000893 |
KBioSS_001924 |
MLS000758298 |
MLS001201764 |
MLS001424051 |
BIDD:GT0174 |
DivK1c_000729 |
SPECTRUM1503611 |
SPBio_001221 |
SPBio_002072 |
BPBio1_000167 |
GTPL7095 |
DTXSID7023437 |
BDBM10850 |
HMS502E11 |
KBio1_000729 |
KBio2_001924 |
KBio2_004492 |
KBio2_007060 |
KBio3_002942 |
NINDS_000729 |
HMS1568H13 |
HMS1922E16 |
HMS2051N06 |
HMS2090H13 |
HMS2093G21 |
HMS2095H13 |
HMS2235C16 |
HMS3262L14 |
HMS3370D09 |
HMS3393N06 |
HMS3712H13 |
Pharmakon1600-01503611 |
BCP29306 |
HY-B0715 |
ZINC1530776 |
Tox21_110223 |
Tox21_500936 |
BBL016497 |
CCG-36382 |
NSC758481 |
PDSP1_001015 |
PDSP2_000999 |
STK177321 |
AKOS000541484 |
Tox21_110223_1 |
AC-8381 |
DB00806 |
LP00936 |
MCULE-9951939936 |
NC00255 |
NSC-758481 |
SDCCGSBI-0050910.P004 |
VZ33607 |
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 |
Pentoxifylline USAN:USP:INN:BAN:JAN |
SBI-0050910.P003 |
1-(5-oxohexyl)theobromine (pentoxifylline) |
AB00052363 |
EU-0100936 |
FT-0603570 |
FT-0657886 |
FT-0673610 |
P2050 |
S4345 |
ST50242554 |
SW196777-4 |
V0152 |
C07424 |
D00501 |
D70138 |
J10071 |
AB00052363-17 |
AB00052363_18 |
AB00052363_21 |
5-26-14-00081 (Beilstein Handbook Reference) |
Q416331 |
3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione |
PTX; Oxpentifylline; BL191; BL 191; BL-191 |
SR-01000075641-1 |
SR-01000075641-4 |
SR-01000075641-7 |
SR-01000075641-9 |
BRD-K57569181-001-05-1 |
BRD-K57569181-001-16-8 |
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 |
Experimental Data
pentoxifylline
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -5.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
pentoxifylline
Statistics Data
pentoxifylline
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -5.000000000000000 | 1 | 1 |
Statistics Data Visualization
pentoxifylline
