Pentoxifylline
CAS Registry Number®
6493-05-6
CAS Name
PentoxifyllineMolecular Formula
C13H18N4O3Molecular Mass
278.31Cite this Page
Pentoxifylline. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=6493-05-6 (retrieved ) (CAS RN: 6493-05-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
105 °CDensity (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
Deleted or Replaced CAS Registry Numbers
495419-61-9
