KEGG   COMPOUND: C12650Help
Entry
C12650                      Compound                               

Name
Capecitabine;
(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester
Formula
C15H22FN3O6
Exact mass
359.1493
Mol weight
359.3501
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Drug metabolism - other enzymes
Enzyme
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01B ANTIMETABOLITES
    L01BC Pyrimidine analogues
     L01BC06 Capecitabine
      D01223  Capecitabine (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   422  Antimetabolites
    4223  Fluorouracils
     D01223  Capecitabine (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases
   thymidylate synthase
    Capecitabine
     D01223  Capecitabine (JAN/USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP2C9
   Capecitabine
    D01223  Capecitabine (JAN/USAN/INN)
 CYP substrates
  CYP2C9
   Capecitabine
    D01223  Capecitabine (JAN/USAN/INN)
Antineoplastics [br08340.html]
 D01223
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D01223
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01223
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Polymorphisms and germline mutations
  D01223
BRITE hierarchy
Other DBs
CAS: 
154361-50-9
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C1y C    22.6823  -21.6375
            2   C1y C    24.0781  -21.6375
            3   C1y C    24.5667  -20.3114
            4   O2x O    23.3802  -19.5437
            5   C1y C    22.2635  -20.3114
            6   C1a C    20.9375  -19.8927
            7   O1a O    21.8448  -22.8240
            8   O1a O    24.9156  -22.8240
            9   N4y N    25.8909  -19.8700
            10  C8y C    26.9476  -20.8069
            11  N5x N    28.2718  -20.3653
            12  C8y C    28.5514  -18.9976
            13  C8y C    27.4947  -18.0609
            14  C8x C    26.1705  -18.5025
            15  O5x O    26.6689  -22.1693
            16  X   F    27.7713  -16.7093
            17  N1b N    29.7537  -18.2875
            18  C7a C    30.9626  -18.9854
            19  O7a O    32.1714  -18.2875
            20  C1b C    33.3802  -18.9854
            21  C1b C    34.5892  -18.2875
            22  C1b C    35.7980  -18.9854
            23  C1b C    37.0068  -18.2875
            24  C1a C    38.2157  -18.9854
            25  O6a O    30.9626  -20.3810
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 1 #Up
            7     1   7 1 #Down
            8     2   8 1 #Down
            9     3   9 1 #Up
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   10  15 2
            17   13  16 1
            18   12  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   18  25 2

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