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Diphosphonate, Technetium Methylene

Diphosphonate, Technetium Methylene

Synopsis, Chemistry

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Also known as: 8v3fgc4j77, Technetium tc-99m medronate anhydrous, Tc-99m-diphosphonate, Technetium diphosphonate, Tc-mdp, Tc-mdp tc-99m

Molecular Formula

CH₂O₆P₂Tc

Molecular Weight

270.88 g/mol

InChI Key

DDVFLVSIVNKSLB-IEOVAKBOSA-J

FDA UNII

8V3FGC4J77

Technetium Tc-99m Medronate is a radiopharmaceutical containing methylene diphosphonate (medronate; MDP) complexed with the gamma-emitting radionuclide technetium Tc 99m with radioisotopic activity and hydroxyapatite affinity. Upon intravenous administration, skeletal uptake of technetium Tc 99m methylene diphosphonate occurs as a function of skeletal blood flow and osteogenic activity. The MDP moiety of this agent has affinity for hydroxyapatite crystals in bone with abnormal accumulation at sites with increased osteoid mineralization; labeling of MDP with Tc 99m allows scintigraphic imaging of areas of abnormal osteogenesis associated with malignant bone lesions.

1 2D Structure

Diphosphonate, Technetium Methylene

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

dioxido-oxo-(phosphonatomethyl)-5-phosphane;technetium-99(4+)

2.1.2 InChI

InChI=1S/CH6O6P2.Tc/c2-8(3,4)1-9(5,6)7;/h1H2,(H2,2,3,4)(H2,5,6,7);/q;+4/p-4/i;1+1

2.1.3 InChI Key

DDVFLVSIVNKSLB-IEOVAKBOSA-J

2.1.4 Canonical SMILES

C(P(=O)([O-])[O-])P(=O)([O-])[O-].[Tc+4]

2.1.5 Isomeric SMILES

C(P(=O)([O-])[O-])P(=O)([O-])[O-].[99Tc+4]

2.2 Other Identifiers

2.2.1 UNII

8V3FGC4J77

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Tc-99m-diphosphonate

2. Technetium Diphosphonate

3. Technetium Tc 99m Diphosphonate

2.3.2 Depositor-Supplied Synonyms

1. 8v3fgc4j77

2. Technetium Tc-99m Medronate Anhydrous

3. Tc-99m-diphosphonate

4. Technetium Diphosphonate

5. Tc-mdp

6. Tc-mdp Tc-99m

7. Technetium Tc 99m Diphosphonate

8. Technetium Tc-99m Diphosphonate

9. Diphosphonic Acid, Technetium-99tc Salt

10. Q27271059

11. Dioxido-oxo-(phosphonatomethyl)-lambda5-phosphane;technetium-99(4+)

12. Phosphonic Acid, Methylenebis-, Technetium(4+) Salt (1:1)

13. Phosphonic Acid, Methylenebis-, Technetium(4+)-99tc Salt (1:1)

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	CH₂O₆P₂Tc
Molecular Weight	270.88 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	270.838911 g/mol
Monoisotopic Mass	270.838911 g/mol
Topological Polar Surface Area	126 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
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	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.)