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Substance Name: Pentetate Calcium Trisodium [USAN]
RN: 12111-24-9
UNII: G79YN26H5B
InChIKey: AYFCVLSUPGCQKD-UHFFFAOYSA-I

Classification Codes

  • Chelating Agent (Plutonium)
  • Drug / Therapeutic Agent
  • Mutation Data
  • Reproductive Effect

Molecular Formulas

  • C14-H18-Ca-N3-Na3-O10
  • C14-H18-Ca-N3-O10.3Na
  • C14-H18-N3-O10.Ca.3Na

Molecular Weight

  • 497.3552
 
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Names and Synonyms

Name of Substance

  • Calcium trisodium pentetate
  • Calcium trisodium pentetate [INN]
  • Pentetate Calcium Trisodium [USAN]

Synonyms

  • Acetic acid, ((carboxymethylimino)bis(ethylenenitrilo))tetra-, calcium trisodium salt
  • An-DTPA
  • Ba 2797
  • Ca-DTPA
  • Calciate(3-), (N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))-, trisodium
  • Calcii trinatrii pentetas
  • Calcii trinatrii pentetas [INN-Latin]
  • Calcium chel-330
  • Calcium DTPA
  • Calcium trisodium chel 330
  • Calcium trisodium diethylenetriamine pentaacetate
  • Calcium trisodium diethylenetriaminepentaacetate
  • Calcium trisodium DTPA
  • Calcium trisodium pentetate
  • Calcium trisodium salt of diethylenetriaminepentaacetic acid
  • Calcium-dtpa
  • Diethylenetriamine pentaacetic acid, calcium trisodium salt
  • Diethylenetriaminepentaacetic acid, calcium trisodium salt
  • Ditripentat
  • DTPA calcium trisodium salt
  • EINECS 235-169-1
  • N,N-Bis(2-(bis(carboxymethyl)amino)ethyl)glycine calcium trisodium salt
  • NSC 34249
  • Pentacin
  • Pentacine
  • Pentetate calcium trisodium
  • Pentetate de calcium trisodique
  • Pentetate de calcium trisodique [INN-French]
  • Pentetate trisodium calcium
  • Pentetato calcico trisodico
  • Pentetato calcico trisodico [INN-Spanish]
  • Penthamil
  • Trisodium (N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))calciate(3-)
  • Trisodium calcium diethylenetriaminepentaacetate
  • UNII-G79YN26H5B

Systematic Names

  • Calciate(3-), (N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))-, trisodium
  • Calciate(3-), (N-(2-(bis((carboxy-kappaO)methyl)amino-kappaN)ethyl)-N-(2-(((carboxy-kappaO)methyl)(carboxymethyl)amino-kappaN)ethyl)glycinato(5-)-kappaN)-, sodium (1:3)
  • Calciate(3-), (N-(2-(bis((carboxy-kappaO)methyl)amino-kappaN)ethyl)-N-(2-(((carboxy-kappaO)methyl)(carboxymethyl)amino-kappaN)ethyl)glycinato(5-)-kappaN)-, trisodium
  • Calcium trisodium pentetate
  • Glycine, N,N-bis(2-(bis(carboxymethyl)amino)ethyl)-, calcium trisodium salt

Registry Numbers

CAS Registry Number

  • 12111-24-9

FDA UNII

  • G79YN26H5B

Other Registry Numbers

  • 1016558-87-4
  • 1058981-05-7
  • 11070-37-4
  • 12001-88-6
  • 12153-86-5
  • 12242-50-1
  • 12257-43-1
  • 1282-74-2
  • 1317-31-3
  • 1337-58-2
  • 17034-67-2
  • 19632-02-1
  • 211115-31-0
  • 215297-13-5
  • 35284-67-4
  • 50884-26-9
  • 51681-43-7
  • 6139-48-6
  • 62-34-0
  • 62796-80-9

System Generated Number

  • 0012111249

Molecular Formulas

Molecular Formulas

  • C14-H18-Ca-N3-Na3-O10
  • C14-H18-Ca-N3-O10.3Na
  • C14-H18-N3-O10.Ca.3Na

Molecular Formula Fragments

  • C14-H18-Ca-N3-O10
  • C14-H18-N3-O10
  • Ca
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C14H23N3O10.Ca.3Na/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;3*+1/p-5

InChIKey

AYFCVLSUPGCQKD-UHFFFAOYSA-I

Smiles

C1C[N]23CC(=O)[O-][Ca+2]245([N]1(CC[N]4(CC(=O)[O-]5)CC(=O)[O-])CC(=O)[O-])[O-]C(=O)C3.[Na+].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 7269mg/kg (7269mg/kg)   Pharmacology and Toxicology Vol. 64, Pg. 247, 1989.
rat LD50 intravenous 2512mg/kg (2512mg/kg)   AJR, American Journal of Roentgenology. Vol. 142, Pg. 619, 1984.