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Tegafur-[13C,15N2]

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General Information
Catalog: BLP-012117
CAS: 1189456-27-6
Molecular Formula: C7[13C]H9F[15N]2O3
Molecular Weight: 203.15

Chemical Structure

Description	Tegafur-[13C,15N2] is the labelled analogue of Tegafur. Tegafur is a chemotherapeutic prodrug of 5-fluorouracil (5-FU) used in the treatment of cancers.
Synonyms	Tegafur 13C,15N2
IUPAC Name	5-fluoro-1-(oxolan-2-yl)(2-13C,1,3-15N2)pyrimidine-2,4-dione
Related CAS	17902-23-7 (unlabelled)
Isomeric SMILES	C1CC(OC1)[15N]2C=C(C(=O)[15NH][13C]2=O)F
Canonical SMILES	C1CC(OC1)N2C=C(C(=O)NC2=O)F
InChI	InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)/i8+1,10+1,11+1
InChI Key	WFWLQNSHRPWKFK-HLDOMDIUSA-N
Melting Point	167-169°C
Purity	95% atom 13C; 95% atom 15N
Density	1.5±0.1 g/cm3
Solubility	Soluble in Chloroform, Ethyl Acetate
Appearance	White Solid
Application	A labelled form of Tefafur, a drug used as an antineoplastic.
Storage	Store at -20°C