Capecitabine

Catalog Number: BC-0531

CAS Number: 154361-50-9

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Specifications

Product Information
Molecular Formula	C₁₅H₂₂FN₃O₆
Molecular Weight	359.35
Purity	≥99% by HPLC
SMILES	CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O
InChi	InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
InChi Key	GAGWJHPBXLXJQN-UORFTKCHSA-N
Alternate Name	Pentyl[1-(3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl)- 5-fluoro-2-oxo-1H-pyrimidin- 4-yl]aminomethanoate; captabin; Ro 09-1978; Xabine
Appearance	White to off-white solid
IUPAC Name	pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate

Properties
Storage Conditions	-20°C
Shipping Conditions	Gel Pack
Solubility	DMSO (100 mg/ml) or EtOH (10 mg/ml)

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