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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Bromoouridine, Radibud, Brudr, 5-budr, Mls002702842, Chembl277625

Molecular Formula

C₉H₁₁BrN₂O₅

Molecular Weight

307.10 g/mol

InChI Key

WOVKYSAHUYNSMH-UHFFFAOYSA-N

1 2D Structure

Mls002702842

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-bromo-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

2.1.2 InChI

InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)

2.1.3 InChI Key

WOVKYSAHUYNSMH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C(C(OC1N2C=C(C(=O)NC2=O)Br)CO)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Bromoouridine

2. Radibud

3. Brudr

4. 5-budr

5. Mls002702842

6. Chembl277625

7. 5-bromo-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

8. Nsc 38297

9. 5-bromo-1-(2-deoxypentofuranosyl)pyrimidine-2,4(1h,3h)-dione

10. Bromodeoxyuridine (brdu)

11. (+)-5-bromo-2'-deoxyuridine

12. Mfcd00006529

13. Bdu

14. 2'-deoxy-5-bromouridine

15. 5-bromo-2?-deoxyuridine

16. Schembl27756

17. Cid_236184

18. Wovkysahuynsmh-uhfffaoysa-

19. Dtxsid00859035

20. 5-bromo-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

21. Nsc38297

22. Bbl100003

23. Bdbm50016787

24. Stl510779

25. Ls-13619

26. Nci60_003667

27. Smr001550589

28. Sy019490

29. Db-053327

30. Wln: T6nvmvj Ee A- Et5otj B1q Cq

31. Ft-0620085

32. 5-bromo-2 Inverted Exclamation Mark -deoxyuridine

33. 5-bromo-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione

34. Broxuridine, Broxuridine (5-bromouracil Deoxyriboside, 5-bromo-2'-deoxyuridine)

35. 5-bromo-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione (c-5-bromo-2-deoxyuridine)

36. 5-bromo-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione(brdurd)

37. 5-bromo-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione(bromodeoxyuridine)

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₁BrN₂O₅
Molecular Weight	307.10 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	305.98513 g/mol
Monoisotopic Mass	305.98513 g/mol
Topological Polar Surface Area	99.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	386
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1