Minodronic Acid Monohydrate

Synopsis, Chemistry

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Also known as: 155648-60-5, Minodronic acid hydrate, (1-hydroxy-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl)diphosphonic acid hydrate, Minodronic acid hydrate [jan], Ym-529 (hydrate), Minodronic acid (hydrate)

Molecular Formula

C₉H₁₄N₂O₈P₂

Molecular Weight

340.16 g/mol

InChI Key

GPAPAOGRNKUFGH-UHFFFAOYSA-N

FDA UNII

457X74V7ND

1 2D Structure

Minodronic Acid Monohydrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;hydrate

2.1.2 InChI

InChI=1S/C9H12N2O7P2.H2O/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8;/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18);1H2

2.1.3 InChI Key

GPAPAOGRNKUFGH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=NC=C(N2C=C1)CC(O)(P(=O)(O)O)P(=O)(O)O.O

2.2 Other Identifiers

2.2.1 UNII

457X74V7ND

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (1-hydroxy-2-(imidazo(1,2-a)-pyridin-3-yl)ethylidene)bisphosphonic Acid Monohydrate

2. 1-hydroxy-2-(imidazo(1,2-a)pyridin-3-yl)ethane-1,1-bisphosphonic Acid Monohydrate

3. Minodronate

4. Minodronic Acid Hydrate

5. Ono-5920

6. Phosphonic Acid, (1-hydroxy-2-imidazo(1,2-a)pyridin-3-ylethylidene)bis-

7. Yh 529

8. Yh-529

9. Yh529

10. Ym 529

11. Ym-529

12. Ym529

2.3.2 Depositor-Supplied Synonyms

1. 155648-60-5

2. Minodronic Acid Hydrate

3. (1-hydroxy-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl)diphosphonic Acid Hydrate

4. Minodronic Acid Hydrate [jan]

5. Ym-529 (hydrate)

6. Minodronic Acid (hydrate)

7. 457x74v7nd

8. (1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic Acid;hydrate

9. Phosphonic Acid, (1-hydroxy-2-imidazo(1,2-a)pyridin-3-ylethylidene)bis-, Monohydrate

10. Phosphonic Acid, P,p'-(1-hydroxy-2-imidazo(1,2-a)pyridin-3-ylethylidene)bis-, Hydrate (1:1)

11. Minodronic Acid Hydrate (jan)

12. Phosphonic Acid, P,p'-(1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethylidene)bis-, Hydrate (1:1)

13. Minodronate Hydrate

14. Minodronate Monohydrate

15. Unii-457x74v7nd

16. Recalbon (tn)

17. Bonoteo (tn)

18. 127657-42-5

19. Schembl6009958

20. Dtxsid80165944

21. Bcp28470

22. Akos022186525

23. Minodronic Acid Monohydrate [mi]

24. Ac-25762

25. Ft-0689647

26. D09198

27. F78008

28. A848235

29. Q27258817

30. (1-hydroxy-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl)diphosphonicacidhydrate

31. (1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosphonoethyl)phosphonic Acid Hydrate

2.4 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₄N₂O₈P₂
Molecular Weight	340.16 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	340.02253940 g/mol
Monoisotopic Mass	340.02253940 g/mol
Topological Polar Surface Area	154 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	439
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