KEGG   COMPOUND: C12673
Entry
C12673                      Compound                               
Name
Tegafur
Formula
C8H9FN2O3
Exact mass
200.0597
Mol weight
200.1671
Structure
Remark
Same as: D01244
Reaction
Pathway
map00983  Drug metabolism - other enzymes
Enzyme
1.14.14.-
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01B ANTIMETABOLITES
    L01BC Pyrimidine analogues
     L01BC03 Tegafur
      D01244  Tegafur (JP18/USAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   422  Antimetabolites
    4223  Fluorouracils
     D01244  Tegafur (JP18/USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG02018  Antimetabolite
   DG01958  Nucleic acid derivative, antineoplastic
    DG01935  Fluoropyrimidine antineoplastic
     D01244  Tegafur
 Metabolizing enzyme substrate
  DG01638  CYP2A6 substrate
   D01244  Tegafur
Drug classes [BR:br08332]
 Antineoplastic
  DG02018  Antimetabolite
   D01244  Tegafur
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Methyltransferases
    TYMS
     D01244  Tegafur (JP18/USAN/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01244  Tegafur
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01244
Prodrugs [br08324.html]
 D01244
Other DBs
CAS: 17902-23-7
PubChem: 583063
ChEBI: 32188
NIKKAJI: J4.543H
KCF data

ATOM        14
            1   C1y C    22.4700  -18.4100
            2   O2x O    21.3500  -17.6400
            3   C1x C    22.0500  -19.7400
            4   C1x C    20.2300  -18.4100
            5   C1x C    20.6500  -19.7400
            6   N4y N    23.8700  -17.6400
            7   C8y C    25.0600  -18.3400
            8   C8x C    23.8700  -16.2400
            9   N4x N    26.3200  -17.6400
            10  O5x O    25.0600  -19.7400
            11  C8y C    25.1300  -15.5400
            12  C8y C    26.3200  -16.3100
            13  O5x O    27.5100  -15.6100
            14  X   F    25.1300  -14.2100
BOND        15
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   5 1
            6     6   7 1
            7     6   8 1
            8     7   9 1
            9     7  10 2
            10    8  11 2
            11    9  12 1
            12   12  13 2
            13   11  12 1
            14   11  14 1
            15    1   6 1

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