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Capecitabine

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For Research Use Only | Not For Clinical Use

CAT	APS154361509
CAS	154361-50-9
Structure
MDL Number	MFCD00930626
Synonyms	Capecitabine
IUPAC Name	pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
Molecular Weight	359.35
Molecular Formula	C15H22FN3O6
Canonical SMILES	CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O
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

Accurate Mass	359.1493
Format	Neat

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