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Pentacin

Pentacin structure

CAS No:
12111-24-9
Formula:
C14H18CaN3O10.3Na
Chemical Name:
Pentacin
Synonyms:
Calciate(3-),[N-[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]-N-[2-[[(carboxy-κO)methyl](carboxymethyl)amino-κN]ethyl]glycinato(5-)-κN]-,sodium (1:3);Calciate(3-),[N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]-,trisodium;Calciate(3-),[N-[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]-N-[2-[[(carboxy-κO)methyl](carboxymethyl)amino-κN]ethyl]glycinato(5-)-κN]-,trisodium;Glycine,N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-,calcium complex;Calcium trisodium diethylenetriaminepentaacetate;Diethylenetriaminepentaacetic acid calcium trisodium salt;Calcium trisodium DTPA;N,N-Bis[2-[bis(carboxymethyl)amino]ethyl]glycine calcium trisodium salt;Trisodium calcium diethylenetriaminepentaacetate;Pentacine;Pentetate trisodium calcium;Ba 2797;Pentacin;Calcium trisodium pentetate;Calcium Chel 330;Ditripentat;Penthamil;DTPA calcium trisodium salt;Glycine,N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-,calcium trisodium salt;Calcium trisodium [[(carboxymethyl)imino]bis(ethylenenitrilo)]tetraacetate;Calcium-DTPA;Trisodium calcium-diethylenetriaminepentaacetic acid;Calcium sodium diethylenetriaminepentaacetate;Pentetatec calcium trisodium;Pentacinium;Pentetate calcium trisodium;62-34-0;1282-74-2;1317-31-3;1337-58-2;3089-92-7;6139-48-6;11070-37-4;12001-88-6;12153-86-5;12242-50-1;12257-43-1;17034-67-2;19632-02-1;35284-67-4;50884-26-9;51681-43-7;62796-80-9;211115-31-0;215297-13-5;1016558-87-4;1058981-05-7
Categories:
Organic Chemistry > Amides

Description

Pentetate Calcium Trisodium is the trisodium salt form of calcium diethylene triamine pentaacetate (Ca-DTPA or pentetate calcium) with chelating activity. Upon administration, Ca-DTPA loses the Ca ion to form stable chelates with metal ions because DTPA has a higher affinity for heavy metal ions than for Ca ions. Specifically, this agent is able to bind to and form strong complexes with radioactive plutonium, americium, and cerium after internal contamination with any of these radionuclides thereby increasing their excretion.|An iron chelating agent with properties like EDETIC ACID. DTPA has also been used as a chelator for other metals, such as plutonium.

Pentacin Basic Attributes

Molecular Weight：

604.58671

Exact Mass：

497.03100

EC Number：

235-169-1

UNII：

G79YN26H5B

DSSTox ID：

DTXSID8065248

NCI Thesaurus Code：

C74576

Characteristics

PSA：

182.71000

XLogP3：

-6.90500

Boiling Point：

721.1ºC at 760mmHg

Flash Point：

389.9ºC

Vapor Pressure：

9.53E-23mmHg at 25°C

Toxicity：

Intravenous-rat LD50: 2512 mg/kg; peritoneal-mouse LD50: 7269 mg/kg

Flammability characteristics：

Thermal decomposition releases toxic nitrogen oxides and sodium oxide fumes

Safety Information

Storage features：

The warehouse is low-temperature, ventilated and dry

Toxicity

Toxicity class：

practically nontoxic

Drug Information

MeSH：

Organic chemicals that form two or more coordination links with an iron ion. Once coordination has occurred, the complex formed is called a chelate. The iron-binding porphyrin group of hemoglobin is an example of a metal chelate found in biological systems. (See all compounds classified as Iron Chelating Agents.)|Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS. (See all compounds classified as Chelating Agents.)|Agents counteracting or neutralizing the action of POISONS. (See all compounds classified as Antidotes.)

MeSH Entry Terms：

Ca-DTPA

Pentacin Use and Manufacturing

Uses

Chelating agent (plutonium).

Manufacturing Info：

Calciate(3-), [N-[2-[bis[(carboxy-.kappa.O)methyl]amino-.kappa.N]ethyl]-N-[2-[[(carboxy-.kappa.O)methyl](carboxymethyl)amino-.kappa.N]ethyl]glycinato(5-)-.kappa.N]-, sodium (1:3): ACTIVE

Use Classification：

Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:497.35
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:11
Exact Mass:497.0311175
Monoisotopic Mass:497.0311175
Topological Polar Surface Area:210
Heavy Atom Count:31
Complexity:454
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes