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Olpadronic Acid

Olpadronic Acid

Synopsis, Chemistry

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Also known as: Olpadronate, 63132-39-8, Olpadronate sodium, Me2-apd, Olpadronic acid [inn], 874hhb2v3s

Molecular Formula

C₅H₁₅NO₇P₂

Molecular Weight

263.12 g/mol

InChI Key

UGEPSJNLORCRBO-UHFFFAOYSA-N

FDA UNII

874HHB2V3S

1 2D Structure

Olpadronic Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[3-(dimethylamino)-1-hydroxy-1-phosphonopropyl]phosphonic acid

2.1.2 InChI

InChI=1S/C5H15NO7P2/c1-6(2)4-3-5(7,14(8,9)10)15(11,12)13/h7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13)

2.1.3 InChI Key

UGEPSJNLORCRBO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O

2.2 Other Identifiers

2.2.1 UNII

874HHB2V3S

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (3-dimethylamino-1-hydroxypropylidene)-1,1-biphosphonate

2. 3-dimethylamino-1-hydroxypropylidene-1,1-bisphosphonate

3. Ahga Diphosphonate

4. Alpha-hydroxydimethyl-gamma-aminopropylidene Biphosphonate

5. Dimethyl-pamidronate

6. Hydroxydimethyl Aminopropylidene Biphosphonate

7. Me2-apd

8. Olpadronate

2.3.2 Depositor-Supplied Synonyms

1. Olpadronate

2. 63132-39-8

3. Olpadronate Sodium

4. Me2-apd

5. Olpadronic Acid [inn]

6. 874hhb2v3s

7. [3-(dimethylamino)-1-hydroxy-1-phosphonopropyl]phosphonic Acid

8. Phosphonic Acid, (3-(dimethylamino)-1-hydroxypropylidene)bis-

9. (3-(dimethylamino)-1-hydroxypropylidene)diphosphonic Acid

10. Ahga Diphosphonate

11. Dimethyl-pamidronate

12. Unii-874hhb2v3s

13. Olpadronatesodium

14. Hydroxydimethyl Aminopropylidene Biphosphonate

15. Me2apd

16. Me2 Apd

17. Chembl55812

18. Schembl138988

19. Olpadronic Acid [mart.]

20. Dtxsid50212479

21. Zinc1914403

22. Ft-0673282

23. Q2823292

24. Z2630948217

25. (3-(dimethylamino)-1-hydroxypropane-1,1-diyl)bis(phosphonic Acid)

26. [3-(n,n-dimethylamino)-1-hydroxypropylidene]-bisphosphonic Acid

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₅NO₇P₂
Molecular Weight	263.12 g/mol
XLogP3	-5.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	263.03237581 g/mol
Monoisotopic Mass	263.03237581 g/mol
Topological Polar Surface Area	139 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	283
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	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Bone Density Conservation Agents

Agents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS. (See all compounds classified as Bone Density Conservation Agents.)