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Details

Stereochemistry ACHIRAL
Molecular Formula C14H18N3O10.Zn.3H
Molecular Weight 456.74
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTETATE ZINC

SMILES

[H+].[H+].[H+].[Zn++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O

InChI

InChIKey=UVJDUBUJJFBKLD-UHFFFAOYSA-L
InChI=1S/C14H23N3O10.Zn/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+2/p-2

HIDE SMILES / InChI

Molecular Formula Zn
Molecular Weight 65.409
Charge 2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H21N3O10
Molecular Weight 391.3306
Charge -2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

on as chelating agents in cosmetics. Pentasodium Pentetate is readily soluble in water, but the corresponding free acid is not. Pentasodium Pentetate is used in almost 400 cosmetic products over a wide range of product categories, although it is mostly used in hair dyes and colors at use concentrations of 0.1% to 1.0%. Pentetic Acid and Pentasodium Pentetate inactivate metallic ions, such as calcium and magnesium, to maintain stability and appearance of cosmetic products. The inactivation of other metallic ions such as iron or copper also helps to prevent the oxidative deterioration of cosmetics and personal care products.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct
Inactive ingredient
DermaKlear Akne Treatment with Sulfur
Diagnostic
PENTETATE CALCIUM TRISODIUM
Palliative
PENTETATE ZINC TRISODIUM

Cmax

ValueDoseCo-administeredAnalytePopulation
1.6 nM
29.4 μmol/kg single, intravenous
PENTETIC ACID plasma
Rattus norvegicus

AUC

ValueDoseCo-administeredAnalytePopulation
0.007 nM × h
29.4 μmol/kg single, intravenous
PENTETIC ACID plasma
Rattus norvegicus

T1/2

ValueDoseCo-administeredAnalytePopulation
0.53 h
29.4 μmol/kg single, intravenous
PENTETIC ACID plasma
Rattus norvegicus

Doses

AEs

PubMed

Sample Use Guides

In Vivo Use Guide
Adults and Adolescents: A single 1.0 gram initial dose of Ca-DTPA administered intravenously Pediatrics (less than 12 years of age): A single initial dose of 14 mg/kg administered intravenously not exceed 1.0 gram.
Route of Administration: Intravenous
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
828I5G7VJ6
Record Status Validated (UNII)
Record Version