pentetate calcium trisodium (CHEBI:749345)

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CHEBI:749345 - pentetate calcium trisodium

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ChEBI ID	CHEBI:749345
ChEBI Name	pentetate calcium trisodium
Stars
Last Modified	29 June 2026
Submitter	chembl-etl
Downloads	Molfile

Formula	Na.C14H18N3O10.Ca.Na.Na
Net Charge	0
Average Mass	497.357
Monoisotopic Mass	497.03112
SMILES	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+].[Na+]
InChI	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

Roles Classification

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	pentetate calcium trisodium (CHEBI:749345) has functional parent hexacarboxylic acid (CHEBI:59359)
	pentetate calcium trisodium (CHEBI:749345) has role antineoplastic agent (CHEBI:35610)
	pentetate calcium trisodium (CHEBI:749345) is a organooxygen compound (CHEBI:36963)

INNs	Source
pentetate de calcium trisodique	WHO MedNet
pentetato calcio y trisodio	WHO MedNet

Synonyms	Source
Calcium trisodium dtpa	ChEMBL
Calcium trisodium pentetate	ChEMBL
NSC-34249	ChEMBL
Pentetate calcium trisodium	ChEMBL

Citations