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Details

Stereochemistry ACHIRAL
Molecular Formula C8H10N4O2.I.Na
Molecular Weight 344.0848
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of caffeine sodium iodide

SMILES

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

InChI

InChIKey=JPEVTJYUOIQUFC-UHFFFAOYSA-M
InChI=1S/C8H10N4O2.HI.Na/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;;/h4H,1-3H3;1H;/q;;+1/p-1

HIDE SMILES / InChI

Molecular Formula I
Molecular Weight 126.9045
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H10N4O2
Molecular Weight 194.1906
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:18:54 UTC 2023
Edited
by admin
on Sat Dec 16 19:18:54 UTC 2023
Record UNII
7DU9VK8U6A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
caffeine sodium iodide
Common Name English
caffeine sodium iodide [WHO-DD]
Common Name English
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, hydriodide, sodium salt
Systematic Name English
Code System Code Type Description
PUBCHEM
166177241
Created by admin on Sat Dec 16 19:18:54 UTC 2023 , Edited by admin on Sat Dec 16 19:18:54 UTC 2023
PRIMARY
CAS
60402-91-7
Created by admin on Sat Dec 16 19:18:54 UTC 2023 , Edited by admin on Sat Dec 16 19:18:54 UTC 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
7DU9VK8U6A
Created by admin on Sat Dec 16 19:18:54 UTC 2023 , Edited by admin on Sat Dec 16 19:18:54 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY