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CAS 10212-20-1
PharmaCompass
  • Chemistry
CAS 10212-20-1
Also known as: 2'-deoxy-2'-fluorocytidine, 10212-20-1, 4-amino-1-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one, Cytidine, 2'-deoxy-2'-fluoro-, Unii-lcy080jpy9, 2-deoxy-2-fluorocytidine
Molecular Formula
C9H12FN3O4
Molecular Weight
245.21  g/mol
InChI Key
NVZFZMCNALTPBY-XVFCMESISA-N
FDA UNII
LCY080JPY9

1 2D Structure

CAS 10212-20-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
2.1.2 InChI
InChI=1S/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1
2.1.3 InChI Key
NVZFZMCNALTPBY-XVFCMESISA-N
2.1.4 Canonical SMILES
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)F
2.1.5 Isomeric SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F
2.2 Other Identifiers
2.2.1 UNII
LCY080JPY9
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2'-deoxy-2'-fluorocytidine

2. 10212-20-1

3. 4-amino-1-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

4. Cytidine, 2'-deoxy-2'-fluoro-

5. Unii-lcy080jpy9

6. 2-deoxy-2-fluorocytidine

7. Lcy080jpy9

8. 2'-fc

9. Mfcd00057445

10. Ak-25258

11. 2 -deoxy-2 -fluorocytidine

12. Nsc 529432

13. Nsc529432

14. 2'-fluoro-d-cytidine

15. Pubchem14204

16. 2'deoxy-2'-fluorocytidine

17. Ac1l2qz7

18. 2'-fdc

19. Ksc494g2f

20. Schembl233120

21. 2'-deoxy-2'-fluorocytidine(2'-fluoro-2'- Deoxycytidine, 2'-fc)

22. 2'-fluoro -2'-deoxycytidine

23. Chembl374528

24. 2/'-fluoro-2/'-deoxycytidine

25. 2'-deoxy-2'-fluoro-d-cytidine

26. Ctk3j4322

27. Ks-00000jvn

28. 2'-f-dc

29. Molport-008-266-478

30. Nvzfzmcnaltpby-xvfcmesisa-n

31. 2'-deoxy-2'-fluorocytidinehydrate

32. 2'-deoxy-2'-(r)-fluoro-cytidine

33. Ks-00000y9n

34. Zinc3817231

35. Anw-44828

36. Cf-209

37. Hg1103

38. Sbb066298

39. Akos015854842

40. Akos015896915

41. .beta.-d-2'-deoxy-2'-fluorocytidine

42. Ab02319

43. Rp28688

44. Rtx-011689

45. Aj-45716

46. Cj-10778

47. Ax8008057

48. St2403542

49. Ft-0601651

50. K-0284

51. 212d201

52. 3-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-amino-3-hydropyrimidin-2-one

53. 4-amino-1-((2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1h)-one

54. 4-amino-1-((2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidin-2-one

55. 4-amino-1-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one

2.4 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 245.21 g/mol
Molecular Formula C9H12FN3O4
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass245.081 g/mol
Monoisotopic Mass245.081 g/mol
Topological Polar Surface Area108 A^2
Heavy Atom Count17
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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