Pentoxifylline

CAS Registry Number®

6493-05-6
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CAS Name

Pentoxifylline

Molecular Formula

C13H18N4O3

Molecular Mass

278.31

Cite 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 2024-07-12) (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 °C
  • Density (2)

    1.3 g/cm³

Source(s)

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