Molecular Identity
CAPECITABINE
pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
PubChem CID: 60953
Capecitabine is a carbamate ester that is cytidine in which the hydrogen at position 5 is replaced by fluorine and in which the amino group attached to position 4 is converted into its N-(penyloxy)carbonyl derivative. Capecitabine is a antineoplastic agent used in the treatment of cancers. It has a role as an antimetabolite, an antineoplastic agent and a prodrug. It is a carbamate ester, a member of cytidines and an organofluorine compound.
2D Structure
Properties
C15H22FN3O6
Molecular Formula
359.35
Molecular Weight
g/mol
359.1493
Exact Mass
Da
0.6
XLogP
Drug-like (Lipinski: < 5)
121
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
582
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
CAPECITABINE154361-50-9XelodaCapecitibineCapiibineCaptabin5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidinecapecitabinaCapecytabineCapecitabine SunCapecitabine TevaCapecitabine MedacCapecitabine AccordcapecitabinumCapecitabin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to CAPECITABINE
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