Tonapofylline

CAS Registry Number®

340021-17-2

CAS Name

Tonapofylline

Molecular Formula

C22H32N4O4

Molecular Mass

416.51

Cite this Page

Tonapofylline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=340021-17-2 (retrieved 2024-11-22) (CAS RN: 340021-17-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    278 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)

InChIKey

InChIKey=ZWTVVWUOTJRXKM-UHFFFAOYSA-N

SMILES

C(CC(O)=O)C12CCC(CC1)(CC2)C3=NC4=C(N3)C(=O)N(CCC)C(=O)N4CCC

Canonical SMILES

O=C(O)CCC12CCC(C3=NC4=C(N3)C(=O)N(C(=O)N4CCC)CCC)(CC1)CC2

Other Names for this Substance

  • Bicyclo[2.2.2]octane-1-propanoic acid, 4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)-
  • 4-(2,3,6,7-Tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)bicyclo[2.2.2]octane-1-propanoic acid
  • BG 9928
  • Tonapofylline

CAS INSIGHTSTM
Hourglass and a clock