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Gallium Citrate

Synopsis, Chemistry

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Also known as: 27905-02-8, Citric acid, gallium salt (1:1), Citric acid, gallium(ii) salt, Ht6c49l0zp, Gallium;2-hydroxypropane-1,2,3-tricarboxylate, 30403-03-3

Molecular Formula

C₆H₅GaO₇

Molecular Weight

258.82 g/mol

InChI Key

YEEGWNXDUZONAA-UHFFFAOYSA-K

FDA UNII

HT6C49L0ZP

1 2D Structure

Gallium Citrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

gallium;2-hydroxypropane-1,2,3-tricarboxylate

2.1.2 InChI

InChI=1S/C6H8O7.Ga/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3

2.1.3 InChI Key

YEEGWNXDUZONAA-UHFFFAOYSA-K

2.1.4 Canonical SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ga+3]

2.2 Other Identifiers

2.2.1 UNII

HT6C49L0ZP

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (68)ga-citrate

2. Ga-67 Citrate

3. Gallium Citrate (1:1); 67ga-labeled

4. Gallium Citrate, 67ga-labeled

5. Gallium(67) Citrate

6. Gallium-67-citrate

2.3.2 Depositor-Supplied Synonyms

1. 27905-02-8

2. Citric Acid, Gallium Salt (1:1)

3. Citric Acid, Gallium(ii) Salt

4. Ht6c49l0zp

5. Gallium;2-hydroxypropane-1,2,3-tricarboxylate

6. 30403-03-3

7. Nsc-15011

8. Einecs 248-721-1

9. Nsc 15011

10. Unii-ht6c49l0zp

11. Gallium 2-hydroxypropane-1,2,3-tricarboxylate

12. Schembl37799

13. Gallium Citrate [mi]

14. Dtxsid50952742

15. 2-hydroxy-1,2,3-propanetricarboxylic Acid Gallium Salt (1:1)

16. 1,2,3-propanetricarboxylic Acid, 2-hydroxy-, Gallium Salt

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₆H₅GaO₇
Molecular Weight	258.82 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	257.92910 g/mol
Monoisotopic Mass	257.92910 g/mol
Topological Polar Surface Area	141 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	211
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Radiopharmaceuticals

Compounds that are used in medicine as sources of radiation for radiotherapy and for diagnostic purposes. They have numerous uses in research and industry. (Martindale, The Extra Pharmacopoeia, 30th ed, p1161) (See all compounds classified as Radiopharmaceuticals.)