Pirenoxine

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Also known as: 1043-21-6, 1,5-dioxo-4h-pyrido[3,2-a]phenoxazine-3-carboxylic acid, Catalin-k, 27l0ep6izk, 5h-pyrido[3,2-a]phenoxazine-3-carboxylicacid, 1-hydroxy-5-oxo-, 1-hydroxy-5-oxopyrido[3,2-a]phenoxazine-3-carboxylic acid

Molecular Formula

C₁₆H₈N₂O₅

Molecular Weight

308.24 g/mol

InChI Key

OKPNYGAWTYOBFZ-UHFFFAOYSA-N

FDA UNII

27L0EP6IZK

1 2D Structure

Pirenoxine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid

2.1.2 InChI

InChI=1S/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22)

2.1.3 InChI Key

OKPNYGAWTYOBFZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)N=C3C(=CC(=O)C4=C3C(=O)C=C(N4)C(=O)O)O2

2.2 Other Identifiers

2.2.1 UNII

27L0EP6IZK

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-hydroxy-5h-pyrido-(3,2-a)-phenoxazin-5-one-3-carboxylic Acid

2. Catalin

3. Pirenoxine, Sodium Salt

2.3.2 Depositor-Supplied Synonyms

1. 1043-21-6

2. 1,5-dioxo-4h-pyrido[3,2-a]phenoxazine-3-carboxylic Acid

3. Catalin-k

4. 27l0ep6izk

5. 5h-pyrido[3,2-a]phenoxazine-3-carboxylicacid, 1-hydroxy-5-oxo-

6. 1-hydroxy-5-oxopyrido[3,2-a]phenoxazine-3-carboxylic Acid

7. Pirenoxina

8. Pirenoxinum

9. 1-hydroxy-5-oxo-5h-pyrido[3,2-a]phenoxazine-3-carboxylic Acid;1-hydroxy-5-oxo-5h-pyrido[3,2-a]phenoxazine-3-carboxylic Acid

10. Prx

11. Pirenoxinum [latin]

12. Pirenoxina [spanish]

13. Pirenoxine [inn:jan]

14. Unii-27l0ep6izk

15. Catalin

16. Einecs 213-872-4

17. Catalin-k (tn)

18. Pirenoxine [mi]

19. Pirenoxine [inn]

20. Pirenoxine [jan]

21. Pirenoxine (jp17/inn)

22. Pirenoxine [who-dd]

23. Schembl36173

24. Chembl1372341

25. Dtxsid6048335

26. Schembl22360205

27. Chebi:32013

28. Zinc11616009

29. Akos015888305

30. Am84317

31. Bs-42378

32. Db-040533

33. Ft-0603540

34. D01100

35. 043p216

36. A800955

37. Q7197959

38. 1-hydroxy-5-oxo-5h-pyrido(3,2-a)phenoxazine-3-carboxylic Acid

39. 4-hydroxy-12-oxo-12h-10-oxa-1,5-diazatetraphene-2-carboxylic Acid

40. 5h-pyrido(3,2-a)phenoxazine-3-carboxylic Acid, 1-hydroxy-5-oxo-

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₈N₂O₅
Molecular Weight	308.24 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	308.04332136 g/mol
Monoisotopic Mass	308.04332136 g/mol
Topological Polar Surface Area	105 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	771
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