U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C2H3O7P2.5K.H2O
Molecular Weight 414.4953
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETIDRONATE PENTAPOTASSIUM MONOHYDRATE

SMILES

O.[K+].[K+].[K+].[K+].[K+].CC([O-])(P([O-])([O-])=O)P([O-])([O-])=O

InChI

InChIKey=RMSDSVZYUKCACX-UHFFFAOYSA-J
InChI=1S/C2H7O7P2.5K.H2O/c1-2(3,10(4,5)6)11(7,8)9;;;;;;/h1H3,(H2,4,5,6)(H2,7,8,9);;;;;;1H2/q-1;5*+1;/p-4

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
MOL RATIO 5 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C2H4O7P2
Molecular Weight 201.9965
Charge -4
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description

Tetrapotassium Etidronate is the diphosphonic acid derivative. It is used in cosmetics as chelating agent.

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Tetrapotassium Etidronate 0.097% as a component of bath soaps and detergents
Route of Administration: Transdermal
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
FF53VF097S
Record Status Validated (UNII)
Record Version