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Substance Name: Sodium theobromine acetate
RN: 32245-40-2
UNII: A669D670I3
InChIKey: HBRJTAOFEGTXSY-UHFFFAOYSA-M

Molecular Weight

  • 260.1841
 
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Names and Synonyms

Name of Substance

  • Sodium theobromine acetate

Synonyms

  • 1-Theobromineacetic acid sodium salt
  • 1-Theobromineacetic acid sodium salt [MI]
  • 1H-Purine-1-acetic acid, 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-, sodium salt (1:1)
  • Purine-1(2H)-acetic acid, 3,6-dihydro-3,7-dimethyl-2,6-dioxo-, monosodium salt
  • Tecarine
  • UNII-A669D670I3

Registry Numbers

CAS Registry Number

  • 32245-40-2

FDA UNII

  • A669D670I3

System Generated Number

  • 0032245402

Structure Descriptors

InChI

1S/C9H10N4O4.Na/c1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2;/h4H,3H2,1-2H3,(H,14,15);/q;+1/p-1

InChIKey

HBRJTAOFEGTXSY-UHFFFAOYSA-M

Smiles

[Na+].CN1C(=O)N(CC(=O)[O-])C(=O)c2c1ncn2C