CAS 14818-35-0

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Also known as: 14818-35-0, Ciclopirox related compound b, 6-cyclohexyl-4-methylpyran-2-one, 2h-pyran-2-one, 6-cyclohexyl-4-methyl-, 842dt6216z, Unii-842dt6216z

Molecular Formula

C₁₂H₁₆O₂

Molecular Weight

192.25 g/mol

InChI Key

GPKRKAFTZYODFF-UHFFFAOYSA-N

FDA UNII

842DT6216Z

1 2D Structure

CAS 14818-35-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-cyclohexyl-4-methylpyran-2-one

2.1.2 InChI

InChI=1S/C12H16O2/c1-9-7-11(14-12(13)8-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3

2.1.3 InChI Key

GPKRKAFTZYODFF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=O)OC(=C1)C2CCCCC2

2.2 Other Identifiers

2.2.1 UNII

842DT6216Z

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 14818-35-0

2. Ciclopirox Related Compound B

3. 6-cyclohexyl-4-methylpyran-2-one

4. 2h-pyran-2-one, 6-cyclohexyl-4-methyl-

5. 842dt6216z

6. Unii-842dt6216z

7. Ciclopirox Olamine Impurity B [ep]

8. Ciclopirox Impurity B

9. Ciclopirox Olamine Specified Impurity B [ep]

10. Schembl9765298

11. 4-methyl-6-cyclohexyl-2-pyrone

12. Dtxsid80163900

13. Amy37287

14. Mfcd09953433

15. Zinc77050238

16. 6-cyclohexyl-4-methyl Pyrone

17. Akos006311314

18. Ds-7241

19. Ciclopirox Impurity B [ep Impurity]

20. Cs-0153126

21. Ft-0665361

22. 6-cyclohexyl-4-methyl-2h-pyran-2-one-[d11]

23. Ciclopirox Related Compound B [usp-rs]

24. D87989

25. A884373

26. Ciclopirox Olamine Impurity B [ep Impurity]

27. Q27269474

2.4 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₆O₂
Molecular Weight	192.25 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	192.115029749 g/mol
Monoisotopic Mass	192.115029749 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	293
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

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