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CHEMISTRY
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Chemistry

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Also known as: Cort118335, Miricorilant [inn], Miricorilant [usan], Cort-118335, Chembl2204043, 311y5gv21m

Molecular Formula

C₂₄H₂₃F₃N₂O₂

Molecular Weight

428.4 g/mol

InChI Key

GVVUZBSCYAVFTI-UHFFFAOYSA-N

FDA UNII

311Y5GV21M

1 2D Structure

Miricorilant

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione

2.1.2 InChI

InChI=1S/C24H23F3N2O2/c25-24(26,27)19-8-4-5-15(13-19)14-20-21(28-23(31)29-22(20)30)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-8,13,17-18H,9-12,14H2,(H2,28,29,30,31)

2.1.3 InChI Key

GVVUZBSCYAVFTI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(CCC1C2=CC=CC=C2)C3=C(C(=O)NC(=O)N3)CC4=CC(=CC=C4)C(F)(F)F

2.2 Other Identifiers

2.2.1 UNII

311Y5GV21M

2.3 Synonyms

2.3.1 MeSH Synonyms

1. C118335

2. Cort118335

2.3.2 Depositor-Supplied Synonyms

1. Cort118335

2. Miricorilant [inn]

3. Miricorilant [usan]

4. Cort-118335

5. Chembl2204043

6. 311y5gv21m

7. 1400902-13-7

8. 6-(trans-4-phenylcyclohexyl)-5-((3-(trifluoromethyl)phenyl)methyl)-2,4(1h,3h)-pyrimidinedione

9. Miricorilant (usan/inn)

10. C118335

11. Unii-311y5gv21m

12. Chembl4297602

13. Schembl12611755

14. Schembl14789264

15. Schembl21348606

16. Gtpl10059

17. Bdbm50402498

18. Who 10853

19. Compound 7 [pmid: 23131342]

20. Hy-117965

21. Cs-0068730

22. D11667

23. C-118335

24. 2,4(1h,3h)-pyrimidinedione, 6-(trans-4-phenylcyclohexyl)-5-((3-(trifluoromethyl)phenyl)methyl)-

25. 6-(trans-4-phenylcyclohexyl)-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine-2,4(1h,3h)-dione

2.4 Create Date

2012-10-30

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₃F₃N₂O₂
Molecular Weight	428.4 g/mol
XLogP3	5.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	428.17116247 g/mol
Monoisotopic Mass	428.17116247 g/mol
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	704
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