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Chemistry

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Also known as: 1198153-15-9, Ur-1102, 0yp1me85gh, (3,5-dibromo-4-hydroxyphenyl)(2,3-dihydro-4h-pyrido(4,3-b)-1,4-oxazin-4-yl)methanone, Methanone, (3,5-dibromo-4-hydroxyphenyl)(2,3-dihydro-4h-pyrido(4,3-b)-1,4-oxazin-4-yl)-, (3,5-dibromo-4-hydroxyphenyl)(2,3-dihydro-4h-pyrido[4,3-b]-1,4-oxazin-4-yl)methanone
Molecular Formula
C14H10Br2N2O3
Molecular Weight
414.05  g/mol
InChI Key
ZMVGQIIOXCGAFV-UHFFFAOYSA-N
FDA UNII
0YP1ME85GH

Epaminurad
a renal urate transporter 1 (URAT1) inhibitor with uricosuric acitivity; structure in first source
1 2D Structure

Epaminurad

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3,5-dibromo-4-hydroxyphenyl)-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone
2.1.2 InChI
InChI=1S/C14H10Br2N2O3/c15-9-5-8(6-10(16)13(9)19)14(20)18-3-4-21-12-1-2-17-7-11(12)18/h1-2,5-7,19H,3-4H2
2.1.3 InChI Key
ZMVGQIIOXCGAFV-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
0YP1ME85GH
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Ur-1102

2.3.2 Depositor-Supplied Synonyms

1. 1198153-15-9

2. Ur-1102

3. 0yp1me85gh

4. (3,5-dibromo-4-hydroxyphenyl)(2,3-dihydro-4h-pyrido(4,3-b)-1,4-oxazin-4-yl)methanone

5. Methanone, (3,5-dibromo-4-hydroxyphenyl)(2,3-dihydro-4h-pyrido(4,3-b)-1,4-oxazin-4-yl)-

6. (3,5-dibromo-4-hydroxyphenyl)(2,3-dihydro-4h-pyrido[4,3-b]-1,4-oxazin-4-yl)methanone

7. Epaminuradum

8. Refchem:137079

9. Ur 1102

10. Epaminurad [inn]

11. Unii-0yp1me85gh

12. Chembl4640580

13. (3,5-dibromo-4-hydroxyphenyl)(2,3-dihydro-4h-pyrido[4,3-b][1,4]oxazin-4-yl)methanone

14. (3,5-dibromo-4-hydroxyphenyl)-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone

15. C14h10br2n2o3

16. Orb1700643

17. Schembl1191165

18. Dtxsid901385228

19. Glxc-15814

20. Ex-a4697

21. Yxb15315

22. Bdbm50538736

23. Mfcd28978060

24. Akos040748326

25. Da-68490

26. Ms-27164

27. Hy-111345

28. Cs-0035278

29. (3,5-dibromo-4-hydroxy-phenyl)-(2,3-dihydro-pyrido[4,3-b][1,4]oxazin-4-yl)-methanone

30. (3,5-dibromo-4-hydroxy-phenyl)-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone

31. (3,5-dibromo-4-hydroxyphenyl)(2h-pyrido[4,3-b][1,4]oxazin-4(3h)-yl)methanone

2.4 Create Date
2010-02-15
3 Chemical and Physical Properties
Molecular Weight 414.05 g/mol
Molecular Formula C14H10Br2N2O3
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area62.7
Heavy Atom Count21
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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