Benzoic acid, 2-hydroxy-, monosodium salt, mixt. with 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione sodium salt

CAS Registry Number®

8048-31-5

CAS Name

Benzoic acid, 2-hydroxy-, monosodium salt, mixt. with 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione sodium salt

Molecular Formula

C7H8N4O2.C7H6O3.2Na

Cite this Page

Benzoic acid, 2-hydroxy-, monosodium salt, mixt. with 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione sodium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=8048-31-5 (retrieved 2024-11-22) (CAS RN: 8048-31-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C7H8N4O2.C7H6O3.2Na/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;8-6-4-2-1-3-5(6)7(9)10;;/h3H,1-2H3,(H,9,12,13);1-4,8H,(H,9,10);;

InChIKey

InChIKey=RDQWTMYJBNGUJU-UHFFFAOYSA-N

SMILES

CN1C2=C(C(=O)NC1=O)N(C)C=N2.[Na].C(O)(=O)C1=C(O)C=CC=C1.[Na]

Canonical SMILES

[Na].[Na].O=C(O)C=1C=CC=CC1O.O=C1NC(=O)N(C=2N=CN(C12)C)C

Other Names for this Substance

  • Benzoic acid, 2-hydroxy-, monosodium salt, mixt. with 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione sodium salt
  • 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-, sodium salt, mixt. contg.
  • Agurin
  • Theobromine sodio-salicylate
  • Thesodate

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Deleted or Replaced CAS Registry Numbers

8002-86-6, 10319-19-4, 14431-48-2

CAS INSIGHTSTM
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