KEGG   COMPOUND: C07108Help
Entry
C07108                      Compound                               

Name
Tamoxifen
Formula
C26H29NO
Exact mass
371.2249
Mol weight
371.5146
Structure
Mol fileKCF fileDB search
Remark
Same as: D08559
Reaction
Pathway
map00982  Drug metabolism - cytochrome P450
Enzyme
1.14.13.8       1.14.13.-       1.14.14.1       1.14.14.-
Brite
Carcinogens [BR:br08008]
 Group 1: Carcinogenic to humans
  Compounds
   C07108  Tamoxifen
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02B HORMONE ANTAGONISTS AND RELATED AGENTS
    L02BA Anti-estrogens
     L02BA01 Tamoxifen
      D08559  Tamoxifen (INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Antiestrogens/Modifiers
   Tamoxifen
    D08559  Tamoxifen (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D08559  Tamoxifen (INN)
Prodrugs [br08324.html]
 D08559
BRITE hierarchy
Other DBs
CAS: 10540-29-1
PubChem: 9319
ChEBI: 41774
ChEMBL: CHEMBL83
PDB-CCD: CTX[PDBj]
NIKKAJI: J10.452C
KCF data Show

ATOM        28
            1   C8x C    36.8900  -21.0700
            2   C8y C    36.8900  -22.4700
            3   C8x C    35.7000  -23.1700
            4   C8x C    34.4400  -22.4700
            5   C8y C    34.4400  -21.0700
            6   C8x C    35.7000  -20.3700
            7   C8x C    31.9900  -22.4700
            8   C8y C    31.9900  -21.0700
            9   C2c C    33.2500  -20.3700
            10  C8x C    30.8000  -23.1700
            11  C8x C    29.6100  -22.4700
            12  C8x C    29.6100  -21.0700
            13  C8x C    30.8000  -20.3700
            14  C2c C    33.2500  -18.9700
            15  C1b C    31.9900  -18.2700
            16  C8y C    34.4400  -18.2700
            17  O2a O    38.0800  -23.1700
            18  C1b C    39.2700  -22.4700
            19  C1b C    40.5300  -23.1700
            20  C8x C    34.4400  -16.8700
            21  C8x C    35.6300  -16.1700
            22  C8x C    36.8900  -16.8700
            23  C8x C    36.8900  -18.2700
            24  C8x C    35.6300  -18.9700
            25  N1c N    41.7200  -22.4700
            26  C1a C    42.9100  -23.1700
            27  C1a C    41.7200  -21.0700
            28  C1a C    30.8000  -18.9700
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 2
            16   14  15 1
            17   14  16 1
            18    2  17 1
            19   17  18 1
            20   18  19 1
            21   16  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   16  24 1
            27   19  25 1
            28   25  26 1
            29   25  27 1
            30   15  28 1

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