Pentifylline

CAS Registry Number®

1028-33-7

CAS Name

Pentifylline

Molecular Formula

C13H20N4O2

Molecular Mass

264.32

Cite this Page

Pentifylline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1028-33-7 (retrieved 2024-11-22) (CAS RN: 1028-33-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    82.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3

InChIKey

InChIKey=MRWQRJMESRRJJB-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(=O)N1CCCCCC)N=CN2C

Canonical SMILES

O=C1C2=C(N=CN2C)N(C(=O)N1CCCCCC)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 1-hexyl-3,7-dihydro-3,7-dimethyl-
  • Theobromine, 1-hexyl-
  • 1-Hexyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
  • Cosaldon
  • 1-Hexyl-3,7-dimethylxanthine

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration