CAS-161599-46-8

Chemistry, 2 End Use API, 18 Related Intermediates

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Also known as: Schembl12029802, Akos025402061, Ac-4243, W-201467, 2 inverted exclamation mark ,3 inverted exclamation mark -di-o-acetyl-5 inverted exclamation mark -deoxy-5-fluorocytidine

Molecular Formula

C₁₃H₁₆FN₃O₆

Molecular Weight

329.28 g/mol

InChI Key

NWJBWNIUGNXJGO-QCPNUFEOSA-N

1 2D Structure

CAS-161599-46-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R,3S,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate

2.1.2 InChI

InChI=1S/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9+,10?,12-/m1/s1

2.1.3 InChI Key

NWJBWNIUGNXJGO-QCPNUFEOSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl12029802

2. Akos025402061

3. Ac-4243

4. W-201467

5. 2 Inverted Exclamation Mark ,3 Inverted Exclamation Mark -di-o-acetyl-5 Inverted Exclamation Mark -deoxy-5-fluorocytidine

2.3 Create Date

2011-11-16

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₆FN₃O₆
Molecular Weight	329.28 g/mol
XLogP3	-0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	329.10231340 g/mol
Monoisotopic Mass	329.10231340 g/mol
Topological Polar Surface Area	121 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	605
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Nantong Chem-land

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5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine 2',3'...

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CAS Number

162204-20-8

End Use API

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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Synthland Limited

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2',3'-Di-O-Acetyl-5'-Deoxy-5-Fluorocytidine

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CAS Number

161599-46-8

End Use API

Capecitabine

About the Company

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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