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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

Olpadronic Acid
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 Weight 263.12 g/mol
Molecular Formula C5H15NO7P2
XLogP3-5.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass263.03237581 g/mol
Monoisotopic Mass263.03237581 g/mol
Topological Polar Surface Area139 Ų
Heavy Atom Count15
Formal Charge0
Complexity283
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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.)


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