1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, sodium salt (1:1)

CAS Registry Number®

3485-82-3
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CAS Name

1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, sodium salt (1:1)

Molecular Formula

C7H8N4O2.Na

Cite this Page

1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, sodium salt (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3485-82-3 (retrieved 2024-08-28) (CAS RN: 3485-82-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Density (1)

    1.05 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=IHJVDPWMLXFQAI-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(=O)N1C)N=CN2.[Na]

Canonical SMILES

[Na].O=C1C=2NC=NC2N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, sodium salt (1:1)
  • Theophylline, sodium salt
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, sodium salt
  • Theophylline, sodium deriv.
  • Sodium theophylline

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Deleted or Replaced CAS Registry Numbers

101706-04-1, 30880-83-2