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2'-Deoxy-3',5'-di-O-benzoyl-2',2'-difluorocytidine-[13C,15N2]

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General Information
Catalog: BLP-012723
CAS: 1267650-42-9
Molecular Formula: C22[13C]H19F2N[15N]2O6
Molecular Weight: 474.39

Chemical Structure

Description	2'-Deoxy-3',5'-di-O-benzoyl-2',2'-difluorocytidine-[13C,15N2] is the labelled analogue of 2'-Deoxy-3',5'-di-O-benzoyl-2',2'-difluorocytidine, which is a β-anomer intermediate of Gemcitabine. It is an antitumor compound.
Synonyms	2'-Deoxy-3',5'-di-O-benzoyl-2',2'-difluorocytidine-13C,15N2; 2'-Deoxy-2',2'-difluoro-3',5'-bis-O-benzoylcytidine-13C,15N2
IUPAC Name	(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl-2-13C-1,3-15N2)-2-((benzoyloxy)methyl)-4,4-difluorotetrahydrofuran-3-yl benzoate
Related CAS	134790-39-9 (unlabelled)
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
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/i22+1,27+1,28+1
InChI Key	ZPUUYUUQQGBHBU-PQKBPNRGSA-N
Purity	98%
Solubility	Soluble in DMSO, Ethyl Acetate (Hot)
Appearance	Tan Solid
Storage	Store at 2-8°C