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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9N4O4.Na
Molecular Weight 260.1819
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM THEOBROMINE ACETATE

SMILES

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

InChI

InChIKey=HBRJTAOFEGTXSY-UHFFFAOYSA-M
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

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H9N4O4
Molecular Weight 237.1922
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:46:38 GMT 2023
Edited
by admin
on Fri Dec 15 15:46:38 GMT 2023
Record UNII
A669D670I3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM THEOBROMINE ACETATE
Systematic Name English
PURINE-1(2H)-ACETIC ACID, 3,6-DIHYDRO-3,7-DIMETHYL-2,6-DIOXO-, MONOSODIUM SALT
Common Name English
1H-PURINE-1-ACETIC ACID, 2,3,6,7-TETRAHYDRO-3,7-DIMETHYL-2,6-DIOXO-, SODIUM SALT (1:1)
Common Name English
TECARINE
Brand Name English
1-THEOBROMINEACETIC ACID SODIUM SALT
MI  
Common Name English
1-THEOBROMINEACETIC ACID SODIUM SALT [MI]
Common Name English
THEOBROMINE SODIUM
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10185998
Created by admin on Fri Dec 15 15:46:38 GMT 2023 , Edited by admin on Fri Dec 15 15:46:38 GMT 2023
PRIMARY
PUBCHEM
23675726
Created by admin on Fri Dec 15 15:46:38 GMT 2023 , Edited by admin on Fri Dec 15 15:46:38 GMT 2023
PRIMARY
MERCK INDEX
m10704
Created by admin on Fri Dec 15 15:46:38 GMT 2023 , Edited by admin on Fri Dec 15 15:46:38 GMT 2023
PRIMARY Merck Index
CAS
32245-40-2
Created by admin on Fri Dec 15 15:46:38 GMT 2023 , Edited by admin on Fri Dec 15 15:46:38 GMT 2023
PRIMARY
FDA UNII
A669D670I3
Created by admin on Fri Dec 15 15:46:38 GMT 2023 , Edited by admin on Fri Dec 15 15:46:38 GMT 2023
PRIMARY