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Synopsis

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Chemistry

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Also known as: Cinnoxicam, 87234-24-0, Spa-s-510, Piroxicam cinnamate [usan], Piroxicam cinnamic acid ester, Spa-s-51o

Molecular Formula

C₂₄H₁₉N₃O₅S

Molecular Weight

461.5 g/mol

InChI Key

GPUVGQIASQNZET-CCEZHUSRSA-N

FDA UNII

7E8Q32N75N

1 2D Structure

Piroxicam Cinnamate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-16,2-benzothiazin-4-yl] (E)-3-phenylprop-2-enoate

2.1.2 InChI

InChI=1S/C24H19N3O5S/c1-27-22(24(29)26-20-13-7-8-16-25-20)23(18-11-5-6-12-19(18)33(27,30)31)32-21(28)15-14-17-9-3-2-4-10-17/h2-16H,1H3,(H,25,26,29)/b15-14+

2.1.3 InChI Key

GPUVGQIASQNZET-CCEZHUSRSA-N

2.1.4 Canonical SMILES

CN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C=CC3=CC=CC=C3)C(=O)NC4=CC=CC=N4

2.1.5 Isomeric SMILES

CN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)/C=C/C3=CC=CC=C3)C(=O)NC4=CC=CC=N4

2.2 Other Identifiers

2.2.1 UNII

7E8Q32N75N

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Cinnoxicam

2. Sinartrol

3. Spa-s 510

2.3.2 Depositor-Supplied Synonyms

1. Cinnoxicam

2. 87234-24-0

3. Spa-s-510

4. Piroxicam Cinnamate [usan]

5. Piroxicam Cinnamic Acid Ester

6. Spa-s-51o

7. 7e8q32n75n

8. Piroxicam Cinnamate (usan)

9. [2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1lambda6,2-benzothiazin-4-yl] (e)-3-phenylprop-2-enoate

10. Sinartrol

11. Unii-7e8q32n75n

12. Schembl43470

13. Chembl2106889

14. Dtxsid10236212

15. Chebi:135749

16. Zinc608032

17. Piroxicam Cinnamate [who-dd]

18. Akos015896439

19. 4-hydroxy-2-methyl-n-2-pyridyl-2h-1,2-benzothiazine-3-carboxamide 1,1-dioxide, Cinnamate (ester)

20. Piroxicam Cinnamic Acid Ester [mi]

21. Hy-106583

22. Cs-0026104

23. D05512

24. A842045

25. Q27268143

26. (e)-3-phenyl-2-propenoic Acid [2-methyl-1,1-dioxo-3-[oxo-(2-pyridinylamino)methyl]-1$l^{6},2-benzothiazin-4-yl] Ester

27. [2-methyl-1,1-bis(oxidanylidene)-3-(pyridin-2-ylcarbamoyl)-1$l^{6},2-benzothiazin-4-yl] (e)-3-phenylprop-2-enoate

28. [2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-16,2-benzothiazin-4-yl] (e)-3-phenylprop-2-enoate

29. 2-propenoic Acid, 3-phenyl-, 2-methyl-3-((2-pyridinylamino)carbonyl)-2h-1,2-benzothiazin-4-yl Ester, S,s-dioxide

2.4 Create Date

2006-04-28

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₁₉N₃O₅S
Molecular Weight	461.5 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	461.10454189 g/mol
Monoisotopic Mass	461.10454189 g/mol
Topological Polar Surface Area	114 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	902
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1