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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 THEOPHYLLINE SODIUM ACETATE

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
THEOPHYLLINE SODIUM ACETATE
JAN  
Systematic Name English
EQUIMOLAR MIXTURE OF THEOPHYLLINE SODIUM AND SODIUM ACETATE, CONTAINING ONE WATER
Common Name English
THEOPHYLLINE SODIUM ACETATE HYDRATE
Systematic Name English
THEACITIN
Common Name English
THEOPHYLLINE SODIUM ACETATE [JAN]
Common Name English
THEOPHYLLINE SODIUM ACETATE MONOHYDRATE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C319
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
NCI_THESAURUS C221
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
Code System Code Type Description
SMS_ID
100000076971
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
PRIMARY
NCI_THESAURUS
C73827
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
PRIMARY
EVMPD
SUB15523MIG
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
PRIMARY
FDA UNII
88AO1K4HJ3
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
PRIMARY
ChEMBL
CHEMBL1114
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
PRIMARY