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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8N4O2.C7H4O3.2Na.H2O
Molecular Weight 380.2637
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THEOBROMINE SODIUM SALICYLATE MONOHYDRATE

SMILES

O.[Na+].[Na+].[O-]C(=O)C1=C([O-])C=CC=C1.CN2C=NC3=C2C(=O)NC(=O)N3C

InChI

InChIKey=MWKXONJZCRBEBM-UHFFFAOYSA-L
InChI=1S/C7H8N4O2.C7H6O3.2Na.H2O/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);;;1H2/q;;2*+1;/p-2

HIDE SMILES / InChI

Approval Year

Name Type Language
THEOBROMINE SODIUM SALICYLATE MONOHYDRATE
Systematic Name English
THEOBROMINE SODIUM SALICYLATE [JAN]
Common Name English
THEOBROMINE SODIUM SALICYLATE
JAN   MI   WHO-DD  
Systematic Name English
Theobromine sodium salicylate [WHO-DD]
Common Name English
DIURETIN
Brand Name English
EQUIMOLAR MIXTURE OF SODIUM THEOBROMINE, SODIUM SALICYLATE AND WATER
Common Name English
THEOBROMINE SODIUM SALICYLATE [MI]
Common Name English
Code System Code Type Description
FDA UNII
P6VR6P4A5V
Created by admin on Fri Dec 15 15:07:11 UTC 2023 , Edited by admin on Fri Dec 15 15:07:11 UTC 2023
PRIMARY
EVMPD
SUB15514MIG
Created by admin on Fri Dec 15 15:07:11 UTC 2023 , Edited by admin on Fri Dec 15 15:07:11 UTC 2023
PRIMARY
SMS_ID
100000076967
Created by admin on Fri Dec 15 15:07:11 UTC 2023 , Edited by admin on Fri Dec 15 15:07:11 UTC 2023
PRIMARY
PUBCHEM
54712690
Created by admin on Fri Dec 15 15:07:11 UTC 2023 , Edited by admin on Fri Dec 15 15:07:11 UTC 2023
PRIMARY
ChEMBL
CHEMBL1114
Created by admin on Fri Dec 15 15:07:11 UTC 2023 , Edited by admin on Fri Dec 15 15:07:11 UTC 2023
PRIMARY
MERCK INDEX
m10703
Created by admin on Fri Dec 15 15:07:11 UTC 2023 , Edited by admin on Fri Dec 15 15:07:11 UTC 2023
PRIMARY Merck Index