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Details

Stereochemistry ACHIRAL
Molecular Formula C7H7N4O2.C2H3O2.2Na.H2O
Molecular Weight 302.1949
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THEOBROMINE SODIUM ACETATE

SMILES

O.[Na+].[Na+].CC([O-])=O.CN1C=NC2=C1C(=O)[N-]C(=O)N2C

InChI

InChIKey=PIFNGEZZMGZLLC-UHFFFAOYSA-L
InChI=1S/C7H8N4O2.C2H4O2.2Na.H2O/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;1-2(3)4;;;/h3H,1-2H3,(H,9,12,13);1H3,(H,3,4);;;1H2/q;;2*+1;/p-2

HIDE SMILES / InChI

Approval Year

Name Type Language
THEOBROMINE SODIUM ACETATE
Systematic Name English
EQUIMOLAR MIXTURE OF SODIUM THEOBROMINE AND SODIUM ACETATE, CONTAINING ONE WATER
Common Name English
THESODATE
Common Name English
Code System Code Type Description
ChEMBL
CHEMBL1114
Created by admin on Fri Dec 15 15:47:13 UTC 2023 , Edited by admin on Fri Dec 15 15:47:13 UTC 2023
PRIMARY
FDA UNII
L25DVE67VM
Created by admin on Fri Dec 15 15:47:13 UTC 2023 , Edited by admin on Fri Dec 15 15:47:13 UTC 2023
PRIMARY
PUBCHEM
76967395
Created by admin on Fri Dec 15 15:47:13 UTC 2023 , Edited by admin on Fri Dec 15 15:47:13 UTC 2023
PRIMARY