API0231984

Pentetate Calcium Trisodium

Pentetate calcium trisodium YB-169 is a chelating agent used for detoxification of radioactive substances.

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CAS No.

12111-24-9
Synonyms

Pentetate calcium trisodium; Calcium trisodium pentetate; Calcium trisodium DTPA
CHEMBL ID

CHEMBL1200945
Molecule Type

Small molecule
Compound CID

25513

Molecular Weight (g/mol)

497.35
Molecular Formula

C14H18CaN3Na3O10
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
SMILES

C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Ca+2]
IUPAC Name

calcium;trisodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
Exact Mass (Da)

497.0311175
Monoisotopic Mass (Da)

497.0311175

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