3,7-Dimethyluric acid

CAS Registry Number®

13087-49-5
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CAS Name

3,7-Dimethyluric acid

Molecular Formula

C7H8N4O3

Molecular Mass

196.16

Cite this Page

3,7-Dimethyluric acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=13087-49-5 (retrieved 2024-04-29) (CAS RN: 13087-49-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >350 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)

InChIKey

InChIKey=HMLZLHKHNBLLJD-UHFFFAOYSA-N

SMILES

CN1C2=C(N(C)C(=O)N2)C(=O)NC1=O

Canonical SMILES

O=C1NC(=O)N(C=2NC(=O)N(C12)C)C

Other Names for this Substance

  • 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-3,7-dimethyl-
  • Uric acid, 3,7-dimethyl-
  • 7,9-Dihydro-3,7-dimethyl-1H-purine-2,6,8(3H)-trione
  • 8-Hydroxytheobromine
  • Oxytheobromine

View All

Deleted or Replaced CAS Registry Numbers

123069-87-4, 33868-06-3

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