CAS Registry Number®
6493-05-6
CAS Name
Pentoxifylline
Molecular Formula
C13H18N4O3
Molecular Mass
278.31
Compound Properties
-
Melting Point (1)
105 °C
-
Density (2)
1.3 g/cm³
Source(s)
- (1) Drugs – Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
- (2) Pavelcik, F.; Acta Crystallographica, Section C: Crystal Structure Communications, (1989), C45(5), 836-7, CAplus
Other Names and Identifiers
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
InChIKey=BYPFEZZEUUWMEJ-UHFFFAOYSA-N
SMILES
O=C1C2=C(N(C)C(=O)N1CCCCC(C)=O)N=CN2C
Canonical SMILES
O=C1C2=C(N=CN2C)N(C(=O)N1CCCCC(=O)C)C
Other Names for this Substance
- 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)-
- Theobromine, 1-(5-oxohexyl)-
- 3,7-Dihydro-3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione
- 1-(5-Oxohexyl)-3,7-dimethylxanthine
- 3,7-Dimethyl-1-(5-oxohexyl)xanthine
- BL 191
- Trental
- Pentoxifylline
- Dimethyloxohexylxanthine
- 1-(5-Oxohexyl)theobromine
- 3,7-Dimethyl-1-(5-oxohexyl)-1H,3H-purin-2,6-dione
- Pentoxifyllin
- Oxpentifylline
- Torental
- Agapurin Retard
- Pentoxiphylline
- PTX
- Vazofirin
- Azupentat
- Rentylin
- Durapental
- NSC 637086
- Agapurin
- Vasotal
- Pexal
- EHT 0202
- Polfilin
- Pentoxyfarm
- Pentoxifilline
- 3,7-Dimethyl-1-(5-oxohexyl)-1H-purine-2,6(3H,7H)-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
- MeSH ID: D010431
Deleted or Replaced CAS Registry Numbers
495419-61-9
