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.NaCite 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 ) (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
Deleted or Replaced CAS Registry Numbers
101706-04-1, 30880-83-2