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Details

Stereochemistry ACHIRAL
Molecular Formula C8H10N4O2.C7H6O3
Molecular Weight 332.3119
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAFFEINE SALICYLATE

SMILES

Cn1cnc2c1c(=O)n(C)c(=O)n2C.c1ccc(c(c1)C(=O)O)O

InChI

InChIKey=SVXXBCDDJXZXOZ-UHFFFAOYSA-N
InChI=1S/C8H10N4O2.C7H6O3/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-6-4-2-1-3-5(6)7(9)10/h4H,1-3H3;1-4,8H,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C8H10N4O2
Molecular Weight 194.1909
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H6O3
Molecular Weight 138.121
Charge 0
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 Jun 25 21:58:56 UTC 2021
Edited
by admin
on Fri Jun 25 21:58:56 UTC 2021
Record UNII
U7R78VQQ6O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CAFFEINE SALICYLATE
INCI  
INCI  
Official Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3,7-TRIMETHYL-, MONO(2-HYDROXYBENZOATE)
Systematic Name English
SALICYLIC ACID, COMPD. WITH CAFFEINE (1:1)
Common Name English
CAFFEINE, MONOSALICYLATE
Systematic Name English
BENZOIC ACID, 2-HYDROXY-, COMPD. WITH 3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE (1:1)
Systematic Name English
CAFFEINE SALICYLATE [INCI]
Common Name English
CAFFEINE, COMPD. WITH SALICYLIC ACID
Systematic Name English
NSC-144074
Code English
Code System Code Type Description
EPA CompTox
5743-22-6
Created by admin on Fri Jun 25 21:58:56 UTC 2021 , Edited by admin on Fri Jun 25 21:58:56 UTC 2021
PRIMARY
CAS
5743-22-6
Created by admin on Fri Jun 25 21:58:56 UTC 2021 , Edited by admin on Fri Jun 25 21:58:56 UTC 2021
PRIMARY
FDA UNII
U7R78VQQ6O
Created by admin on Fri Jun 25 21:58:56 UTC 2021 , Edited by admin on Fri Jun 25 21:58:56 UTC 2021
PRIMARY
ECHA (EC/EINECS)
227-259-4
Created by admin on Fri Jun 25 21:58:56 UTC 2021 , Edited by admin on Fri Jun 25 21:58:56 UTC 2021
PRIMARY
PUBCHEM
64121
Created by admin on Fri Jun 25 21:58:56 UTC 2021 , Edited by admin on Fri Jun 25 21:58:56 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE