1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3,5-trimethyl-6-nonylcyclohexa-2,5-diene-1,4-dione

2.1.2 InChI

InChI=1S/C18H28O2/c1-5-6-7-8-9-10-11-12-16-15(4)17(19)13(2)14(3)18(16)20/h5-12H2,1-4H3

2.1.3 InChI Key

IJWAQTHZBDBIID-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

WW8KZK2PZT

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1213269-96-5

2. Utreloxastat [inn]

3. Ww8kzk2pzt

4. Ptc857

5. Ptc-857

6. 2,5-cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-nonyl-

7. Unii-ww8kzk2pzt

8. 2,3,5-trimethyl-6-nonylcyclohexa-2,5-diene-1,4-dione

9. Compound C9 [wo2020081879a2]

10. Compound C9 (wo2020081879a2)

11. Utreloxastat [usan]

12. Schembl1713853

13. Utreloxastat (jan/usan/inn)

14. Chembl5314565

15. Gtpl13260

16. Da-58934

17. Ms-23936

18. Hy-132845

19. Cs-0204152

20. D12510

21. G18378

2.4 Create Date

2010-07-06

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₈O₂
Molecular Weight	276.4 g/mol
XLogP3	5.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	34.1
Heavy Atom Count	20
Formal Charge	0
Complexity	438
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

Utreloxastat