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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8N4O2.C7H4O3.2Na
Molecular Weight 362.2484
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THEOBROMINE SODIUM SALICYLATE ANHYDROUS

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C7H4O3
Molecular Weight 136.1049
Charge -2
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

Molecular Formula C7H8N4O2
Molecular Weight 180.164
Charge 0
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 00:30:54 UTC 2023
Edited
by admin
on Sat Dec 16 00:30:54 UTC 2023
Record UNII
O42S49LAA4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THEOBROMINE SODIUM SALICYLATE ANHYDROUS
Common Name English
THEOBROMINE SODIUM SALICYLATE ANHYDROUS [MI]
Common Name English
EQUIMOLAR MIXTURE OF SODIUM THEOBROMINE AND SODIUM SALICYLATE
Common Name English
Code System Code Type Description
RXCUI
236926
Created by admin on Sat Dec 16 00:30:54 UTC 2023 , Edited by admin on Sat Dec 16 00:30:54 UTC 2023
PRIMARY RxNorm
FDA UNII
O42S49LAA4
Created by admin on Sat Dec 16 00:30:54 UTC 2023 , Edited by admin on Sat Dec 16 00:30:54 UTC 2023
PRIMARY
PUBCHEM
54721905
Created by admin on Sat Dec 16 00:30:54 UTC 2023 , Edited by admin on Sat Dec 16 00:30:54 UTC 2023
PRIMARY
CAS
8048-31-5
Created by admin on Sat Dec 16 00:30:54 UTC 2023 , Edited by admin on Sat Dec 16 00:30:54 UTC 2023
PRIMARY
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ACTIVE MOIETY