CAS 134790-39-9

Chemistry, 4 End Use API, 20 Related Intermediates

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1 APIs, 1 Intermediates

Also known as: 134790-39-9, (2r,3r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-2-((benzoyloxy)methyl)-4,4-difluorotetrahydrofuran-3-yl benzoate, 2'-deoxy-3',5'-di-o-benzoyl-2',2'-difluorocytidine, Cytidine, 2'-deoxy-2',2'-difluoro-, 3',5'-dibenzoate, [(2r,3r,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3-benzoyloxy-4,4-difluorooxolan-2-yl]methyl benzoate, Schembl17841790

Molecular Formula

C₂₃H₁₉F₂N₃O₆

Molecular Weight

471.4 g/mol

InChI Key

ZPUUYUUQQGBHBU-HGHGUNKESA-N

1 2D Structure

CAS 134790-39-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-benzoyloxy-4,4-difluorooxolan-2-yl]methyl benzoate

2.1.2 InChI

InChI=1S/C23H19F2N3O6/c24-23(25)18(34-20(30)15-9-5-2-6-10-15)16(13-32-19(29)14-7-3-1-4-8-14)33-21(23)28-12-11-17(26)27-22(28)31/h1-12,16,18,21H,13H2,(H2,26,27,31)/t16-,18-,21-/m1/s1

2.1.3 InChI Key

ZPUUYUUQQGBHBU-HGHGUNKESA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)(F)F)OC(=O)C4=CC=CC=C4

2.1.5 Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C([C@@H](O2)N3C=CC(=NC3=O)N)(F)F)OC(=O)C4=CC=CC=C4

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 134790-39-9

2. (2r,3r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-2-((benzoyloxy)methyl)-4,4-difluorotetrahydrofuran-3-yl Benzoate

3. 2'-deoxy-3',5'-di-o-benzoyl-2',2'-difluorocytidine

4. Cytidine, 2'-deoxy-2',2'-difluoro-, 3',5'-dibenzoate

5. [(2r,3r,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3-benzoyloxy-4,4-difluorooxolan-2-yl]methyl Benzoate

6. Schembl17841790

7. Dtxsid801218985

8. 134790-40-2

9. Amy38980

10. Zinc21982275

11. Akos015900585

12. H11779

13. (2r,3r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-2-((benzoyloxy)methyl)-4,4-difluorotetrahydrofuran-3-ylbenzoate

14. (2r,3r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-2-(benzoyloxymethyl)-4,4-difluorotetrahydrofuran-3-yl Benzoate

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₁₉F₂N₃O₆
Molecular Weight	471.4 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	471.12419166 g/mol
Monoisotopic Mass	471.12419166 g/mol
Topological Polar Surface Area	121 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	852
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-benzoylox...

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CAS Number

134790-39-9

End Use API

Gemcitabine

About the Company

Fuan Pharmaceutical (Group) Co., Ltd. was established on February 25, 2004. The company is located in Cho...

Fuan Pharmaceutical (Group) Co., Ltd. was established on February 25, 2004. The company is located in Chongqing Changshou Economic and Technological Development Zone, covering an area of about 100 acres, a construction area of over 30,000 square meters, and a registered capital of 1.189 billion yuan. It is the first company in Changshou Economic and Technological Development Zone successfully listed on the Shenzhen GEM (March 22, 2011, stock code: 300194). The company has 9 wholly-owned and holding subsidiaries. In March 2008, Fuan Pharmaceutical Group Chongqing Lybon Pharm-Tech Co

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T9: 2',2'-difluoro-2'-deoxycytidine-3',5'-dibenzoate

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CAS Number

134790-39-9

End Use API

Gemcitabine

About the Company

We specialize in the supply of API and API related intermediates and services. A significant part of our ...

We specialize in the supply of API and API related intermediates and services. A significant part of our business comes from the process/production development tailored to our customers' requirement.We see our core-value in our top-of-the-rank R&D capabilities, strict quality system, fast communication with accuracy and 15years of continued dedication to pharmaceutical and chemical industries.We take pride in the long term partnership with our reputed customers, and feel truly fortunate to work with mutual and respect. We constantly strive to keep up with their ever increasing expectation, to ensure we are worthy of their trust and reliance.

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N-amino-aza-3-bicyclo[3,3,0]octane hydrochloride

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CAS Number

58108-05-7

End Use API

Gliclazide

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Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...

Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.

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