CAS 118854-48-1

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2 End Use APIs
17 Related Intermediates

Chemistry

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Also known as: 118854-48-1, Meloxicam related compound c, Nsc640233, Nsc-640233, 7efq1f465l, Isopropyl 4-hydroxy-2-methyl-2h-1,2-benzothiazine-3-carboxylate 1,1-dioxide

Molecular Formula

C₁₃H₁₅NO₅S

Molecular Weight

297.33 g/mol

InChI Key

ZHWSBDIYCSOTBY-UHFFFAOYSA-N

FDA UNII

7EFQ1F465L

1 2D Structure

CAS 118854-48-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

propan-2-yl 4-hydroxy-2-methyl-1,1-dioxo-16,2-benzothiazine-3-carboxylate

2.1.2 InChI

InChI=1S/C13H15NO5S/c1-8(2)19-13(16)11-12(15)9-6-4-5-7-10(9)20(17,18)14(11)3/h4-8,15H,1-3H3

2.1.3 InChI Key

ZHWSBDIYCSOTBY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)OC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)N1C)O

2.2 Other Identifiers

2.2.1 UNII

7EFQ1F465L

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 118854-48-1

2. Meloxicam Related Compound C

3. Nsc640233

4. Nsc-640233

5. 7efq1f465l

6. Isopropyl 4-hydroxy-2-methyl-2h-1,2-benzothiazine-3-carboxylate 1,1-dioxide

7. 1-methylethyl 4-hydroxy-2-methyl-2h-1,2-benzothiazine-3-carboxylate 1,1-dioxide

8. 2-methyl-4-hydroxy-2h-1,2-benzothiazine-3-carboxylic Isopropyl Ester-1,1-dioxide

9. 2h-1,2-benzothiazine-3-carboxylic Acid, 4-hydroxy-2-methyl-, 1-methylethyl Ester, 1,1-dioxide

10. Piroxicam Impurity L

11. Propan-2-yl 4-hydroxy-2-methyl-1,1-dioxo-1?^{6},2-benzothiazine-3-carboxylate

12. (piroxicam Impurity L)

13. Meloxicam Impurity F [ep]

14. 4-hydroxy-2-methyl-2h-1,2-benzothiazine-3-carboxylic Acid Isopropyl Ester 1,1-dioxide

15. Unii-7efq1f465l

16. Schembl3419653

17. Zinc5732730

18. Meloxicam Related Compound C [usp]

19. Akos015914773

20. Meloxicam Related Compound C Rs [usp]

21. Meloxicam Impurity F [ep Impurity]

22. Piroxicam Impurity L [ep Impurity]

23. Ft-0670500

24. Meloxicam Related Compound C [usp-rs]

25. 854m481

26. Meloxicam Related Compound C [usp Impurity]

27. Propan-2-yl 4-hydroxy-2-methyl-1,1-dioxo-1$l^{6}

28. Q27268152

29. Propan-2-yl 4-hydroxy-2-methyl-1,1-dioxo-16,2-benzothiazine-3-carboxylate

30. 2-methyl-3-(isopropyloxycarbonyl)-4-hydroxy-2h-1,2-benzothiazine 1,1-dioxide

31. Isopropyl 4-hydroxy-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazine-3-carboxylate

32. Isopropyl4-hydroxy-2-methyl-2h-benzo[e][1,2]thiazine-3-carboxylate1,1-dioxide

33. Propan-2-yl 4-hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxylate

2.4 Create Date

2011-12-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₅NO₅S
Molecular Weight	297.33 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	297.06709375 g/mol
Monoisotopic Mass	297.06709375 g/mol
Topological Polar Surface Area	92.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	532
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