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Also known as: 60662-14-8, Pentetate indium disodium in 111, 7uit3zgc8e, Pentetate indium disodium in 111 [usan], Disodium (n,n-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))indate(2-)-(sup 111)in, Disodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;indium-111(3+)

Molecular Formula

C₁₄H₁₈InN₃Na₂O₁₀

Molecular Weight

545.19 g/mol

InChI Key

JKGXLBAWNSPIFF-LWQDMHIUSA-I

FDA UNII

7UIT3ZGC8E

Indium in-111 pentetate disodium is a Radioactive Diagnostic Agent. The mechanism of action of indium in-111 pentetate disodium is as a Radiopharmaceutical Activity.

1 2D Structure

Pentetate Indium Disodium In 111 Usan

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

disodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;indium-111(3+)

2.1.2 InChI

InChI=1S/C14H23N3O10.In.2Na/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;+3;2*+1/p-5/i;1-4;;

2.1.3 InChI Key

JKGXLBAWNSPIFF-LWQDMHIUSA-I

2.1.4 Canonical SMILES

C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[In+3]

2.1.5 Isomeric SMILES

C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[111In+3]

2.2 Other Identifiers

2.2.1 UNII

7UIT3ZGC8E

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 60662-14-8

2. Pentetate Indium Disodium In 111

3. 7uit3zgc8e

4. Pentetate Indium Disodium In 111 [usan]

5. Disodium (n,n-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))indate(2-)-(sup 111)in

6. Disodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;indium-111(3+)

7. Pentetate Indium Disodium In 111 (usan)

8. Unii-7uit3zgc8e

9. Indium Dtpa In 111 (tn)

10. Pentetate Indium Disodium In-111

11. Pentetate Indium Disodium,in-111

12. Dtxsid101027591

13. Indium (in111) Disodium Pentetate

14. Pentetate Indium Disodium, In-111

15. D05421

16. Pentetate Indium Disodium,in-111 [vandf]

17. Indium (111 In) Disodium Pentetate [who-dd]

18. Q27268870

19. Indium In-111 Pentetate Disodium [orange Book]

20. Disodium (n,n-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))indate(2-)-111in

21. Indate(2-)-(sup 111)in-, (n,n-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))-, Disodium

2.4 Create Date

2008-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₈InN₃Na₂O₁₀
Molecular Weight	545.19 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	11
Exact Mass	544.98386 g/mol
Monoisotopic Mass	544.98386 g/mol
Topological Polar Surface Area	210 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	454
Isotope Atom Count	1
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	4