Oxtriphylline

CAS Registry Number®

4499-40-5

CAS Name

Oxtriphylline

Molecular Formula

C7H7N4O2.C5H14NO

Cite this Page

Oxtriphylline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4499-40-5 (retrieved 2024-11-22) (CAS RN: 4499-40-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    176-178 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3H,1-2H3,(H,8,9,12);7H,4-5H2,1-3H3/q;+1/p-1

InChIKey

InChIKey=RLANKEDHRWMNRO-UHFFFAOYSA-M

SMILES

O=C1C2=C(N(C)C(=O)N1C)N=C[N-]2.C([N+](C)(C)C)CO

Canonical SMILES

O=C1C=2[N-]C=NC2N(C(=O)N1C)C.OCC[N+](C)(C)C

Other Names for this Substance

  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)
  • Choline, compd. with theophylline (1:1)
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)
  • Choline, compd. with theophylline
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, ion(1-), 2-hydroxy-N,N,N-trimethylethanaminium

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Deleted or Replaced CAS Registry Numbers

146-71-4, 13930-27-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration