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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5O2.K.3H2O
Molecular Weight 214.2575
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POTASSIUM BENZOATE TRIHYDRATE

SMILES

O.O.O.[K+].[O-]C(=O)C1=CC=CC=C1

InChI

InChIKey=YRIBQNYQDUDXTB-UHFFFAOYSA-M
InChI=1S/C7H6O2.K.3H2O/c8-7(9)6-4-2-1-3-5-6;;;;/h1-5H,(H,8,9);;3*1H2/q;+1;;;/p-1

HIDE SMILES / InChI
Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C7H6O2
Molecular Weight 122.1213
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

1956
94
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Approved
8429
Newton Homeopathics Food Allergy ~ Additives

Approved Use

Formulated for associated symptoms such as itching, swelling, headaches, labored breathing and digestive upset.
Patents

Patents

04356105
2
04430511
2
04648984
2
04723016
4
JP2006117743A
2
JP2011506305A
2
JP2011530085A
5
JPH01103684A
2
JPH01172448A
2
JPH01249883A
2
JPH01308483A
2
JPH02300246A
2
JPH03170440A
2
JPH03284648A
2
JPH0625322A
2
JPH06263848A
3
JPH07188065A
2
JPH08143415A
2
JPH10101467A
2
JPH10226591A
2
JPH10330323A
2
JPS54163513A
3
JPS58104934A
2
JPS5968326A
2
JPS60120835A
2
JPS62141055A
2
Substance Class Chemical
Created
by admin
on Sat Dec 16 05:23:13 GMT 2023
Edited
by admin
on Sat Dec 16 05:23:13 GMT 2023
Record UNII
8JUZ5VA03X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
POTASSIUM BENZOATE TRIHYDRATE
Systematic Name English
BENZOIC ACID, POTASSIUM SALT, HYDRATE (1:1:3)
Common Name English
BENZOIC ACID, POTASSIUM SALT, TRIHYDRATE
Common Name English
BENZOIC ACID POTASSIUM SALT TRIHYDRATE [MI]
Common Name English
Code System Code Type Description
FDA UNII
8JUZ5VA03X
Created by admin on Sat Dec 16 05:23:13 GMT 2023 , Edited by admin on Sat Dec 16 05:23:13 GMT 2023
PRIMARY
PUBCHEM
71586862
Created by admin on Sat Dec 16 05:23:13 GMT 2023 , Edited by admin on Sat Dec 16 05:23:13 GMT 2023
PRIMARY
CAS
6100-02-3
Created by admin on Sat Dec 16 05:23:13 GMT 2023 , Edited by admin on Sat Dec 16 05:23:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID50209869
Created by admin on Sat Dec 16 05:23:13 GMT 2023 , Edited by admin on Sat Dec 16 05:23:13 GMT 2023
PRIMARY
MERCK INDEX
m2363
Created by admin on Sat Dec 16 05:23:13 GMT 2023 , Edited by admin on Sat Dec 16 05:23:13 GMT 2023
PRIMARY Merck Index
Related Record Type Details
Structure of Potassium benzoate
ANHYDROUS->SOLVATE
NIH
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