CAS 66335-38-4

Also known as: 66335-38-4, Cytidine, 5'-deoxy-5-fluoro-, 5-fluoro-5'-deoxycytidine, 5'-dfcr, 4-amino-1-((2r,3r,4s,5r)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoropyrimidin-2(1h)-one, 5'-deoxy-5-fluoro cytidine

Molecular Formula

C₉H₁₂FN₃O₄

Molecular Weight

245.21 g/mol

InChI Key

YSNABXSEHNLERR-ZIYNGMLESA-N

FDA UNII

8RWB05I6ON

1 2D Structure

CAS 66335-38-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidin-2-one

2.1.2 InChI

InChI=1S/C9H12FN3O4/c1-3-5(14)6(15)8(17-3)13-2-4(10)7(11)12-9(13)16/h2-3,5-6,8,14-15H,1H3,(H2,11,12,16)/t3-,5-,6-,8-/m1/s1

2.1.3 InChI Key

YSNABXSEHNLERR-ZIYNGMLESA-N

2.1.4 Canonical SMILES

CC1C(C(C(O1)N2C=C(C(=NC2=O)N)F)O)O

2.1.5 Isomeric SMILES

C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)O)O

2.2 Other Identifiers

2.2.1 UNII

8RWB05I6ON

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 5'-dfcr

2.3.2 Depositor-Supplied Synonyms

1. 66335-38-4

2. Cytidine, 5'-deoxy-5-fluoro-

3. 5-fluoro-5'-deoxycytidine

4. 5'-dfcr

5. 4-amino-1-((2r,3r,4s,5r)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoropyrimidin-2(1h)-one

6. 5'-deoxy-5-fluoro Cytidine

7. Cytidine, 5'-deoxy-5-fluoro

8. Capecitabine Related Compound A

9. 8rwb05i6on

10. Chebi:80627

11. 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidin-2-one

12. Unii-8rwb05i6on

13. Mfcd07369278

14. Capecitabine Related Compound A [usp]

15. 5`-deoxy-5-fluorocytidine

16. Schembl331944

17. Chembl3244492

18. Dtxsid00216543

19. Zinc21302830

20. Akos015840076

21. Akos015896907

22. Ac-4244

23. Cs-w010254

24. As-15620

25. Capecitabine Related Compound A [usp-rs]

26. 335f384

27. Capecitabine Related Compound A [usp Impurity]

28. Q27149675

29. 4-amino-1-(5-deoxy-beta-d-ribofuranosyl)-5-fluoropyrimidin-2(1h)-one (5'-deoxy-5-fluorocytidine)

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₂FN₃O₄
Molecular Weight	245.21 g/mol
XLogP3	-1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	245.08118403 g/mol
Monoisotopic Mass	245.08118403 g/mol
Topological Polar Surface Area	108 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	411
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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5'-Deoxy-5-Fluorocytidine

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66335-38-4

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Capecitabine

About the Company

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.

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Shouyuan chemical (one of the leading chemicals supplier in China) specializes in manufacturing, supplyin...

Shouyuan chemical (one of the leading chemicals supplier in China) specializes in manufacturing, supplying, and custom synsthesis latest chemicals. Our products cover all kinds of range like pharmaceuticals, agrochemicals, electronic chemicals, surfactants and other specialty chemicals.

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Synthland is an integrated pharmaceutical company that develops, produce and supplies Active Pharmaceutic...

Synthland is an integrated pharmaceutical company that develops, produce and supplies Active Pharmaceutical Ingredients (APIs) and Intermediates. We also represent some well-known GMP factories in China for their sales and business development to global market. Most of the products have USDMF, EDMF, CEP, etc, and we have a professional regulatory affairs team who will provide you the documentation as per relative authority's requirement and accelerate your drug application process. Our product category includes Oncology, Anti-infective, Anti-diabetic, Prostaglandin, Immunosuppressant and Veterinary, etc.

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