Ambuphylline

CAS Registry Number®

5634-34-4

CAS Name

Ambuphylline

Molecular Formula

C7H8N4O2.C4H11NO

Cite this Page

Ambuphylline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5634-34-4 (retrieved 2024-11-22) (CAS RN: 5634-34-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    254-256 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3

InChIKey

InChIKey=SEIRRUDMPNNSCY-UHFFFAOYSA-N

SMILES

C(CO)(C)(C)N.O=C1C2=C(N(C)C(=O)N1C)N=CN2

Canonical SMILES

O=C1C=2NC=NC2N(C(=O)N1C)C.OCC(N)(C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, compd. with 2-amino-2-methyl-1-propanol (1:1)
  • Theophylline, compd. with 2-amino-2-methyl-1-propanol (1:1)
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 2-amino-2-methyl-1-propanol (1:1)
  • 1-Propanol, 2-amino-2-methyl-, compd. with theophylline (1:1)
  • 1-Propanol, 2-amino-2-methyl-, compd. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration