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Also known as: Mrx-i, 1112968-42-9, Mrx-1, Contezolid [usan], B669m62elp, Chembl3287379

Molecular Formula

C₁₈H₁₅F₃N₄O₄

Molecular Weight

408.3 g/mol

InChI Key

SULYVXZZUMRQAX-NSHDSACASA-N

FDA UNII

B669M62ELP

MRX-I has been used in trials studying the treatment of Bacterial Infections.

1 2D Structure

Contezolid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one

2.1.2 InChI

InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1

2.1.3 InChI Key

SULYVXZZUMRQAX-NSHDSACASA-N

2.1.4 Canonical SMILES

C1CN(C=CC1=O)C2=C(C=C(C(=C2F)F)N3CC(OC3=O)CNC4=NOC=C4)F

2.1.5 Isomeric SMILES

C1CN(C=CC1=O)C2=C(C=C(C(=C2F)F)N3C[C@@H](OC3=O)CNC4=NOC=C4)F

2.2 Other Identifiers

2.2.1 UNII

B669M62ELP

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4(1h)-pyridinone, 2,3-dihydro-1-(2,3,6-trifluoro-4-((5s)-5-((3-isoxazolylamino)methyl)-2-oxo-3-oxazolidinyl)phenyl)-

2. 5-((isoxazol-3-ylamino)methyl)-3-(2,3,5-trifluoro-4-(4-oxo-3,4-dihydropyridin-1(2h)-yl)phenyl)oxazolidin-2-one

3. Mrx-i Compound

2.3.2 Depositor-Supplied Synonyms

1. Mrx-i

2. 1112968-42-9

3. Mrx-1

4. Contezolid [usan]

5. B669m62elp

6. Chembl3287379

7. (5s)-5-[(1,2-oxazol-3-ylamino)methyl]-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one

8. (s)-5-((isoxazol-3-ylamino)methyl)-3-(2,3,5-trifluoro-4-(4-oxo-3,4-dihydropyridin-1(2h)-yl)phenyl)oxazolidin-2-one

9. 4(1h)-pyridinone, 2,3-dihydro-1-(2,3,6-trifluoro-4-((5s)-5-((3-isoxazolylamino)methyl)-2-oxo-3-oxazolidinyl)phenyl)-

10. Unii-b669m62elp

11. Youxitai

12. Contezolid [inn]

13. Contezolid (usan/inn)

14. Contezolid [who-dd]

15. Schembl5945221

16. Gtpl10795

17. Bdbm50017203

18. Db12796

19. Hy-19915

20. Cs-0016941

21. D11297

22. Q27274420

23. 1-(2,3,6-trifluoro-4-((5s)-5-((1,2-oxazol-3-ylamino)methyl)-2-oxo-1,3-oxazolidin-3-yl)phenyl)-2,3-dihydropyridin-4(1h)-one

24. 1-{2,3,6-trifluoro-4-[(5s)-5-{[(1,2-oxazol-3-yl)amino]methyl}-2-oxo-1,3-oxazolidin-3-yl]phenyl}-2,3-dihydropyridin-4(1h)-one

25. Zc0

2.4 Create Date

2009-03-16

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₅F₃N₄O₄
Molecular Weight	408.3 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	408.10453946 g/mol
Monoisotopic Mass	408.10453946 g/mol
Topological Polar Surface Area	87.9 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	669
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1