KEGG   COMPOUND: C08166Help
Entry
C08166                      Compound                               

Name
Toremifene
Formula
C26H28ClNO
Exact mass
405.1859
Mol weight
405.9596
Structure
Mol fileKCF fileDB search
Remark
Same as: D08620
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C08166  Toremifene
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02B HORMONE ANTAGONISTS AND RELATED AGENTS
    L02BA Anti-estrogens
     L02BA02 Toremifene
      D08620  Toremifene (INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Antiestrogens/Modifiers
   Toremifene
    D08620  Toremifene (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D08620  Toremifene (INN)
 Protein kinases
  Receptor tyrosine kinases (RTK)
   INSR family
    IGF1R (CD221)
     D08620  Toremifene (INN)
BRITE hierarchy
Other DBs
CAS: 89778-26-7
PubChem: 10366
ChEBI: 9635
ChEMBL: CHEMBL1655
PDB-CCD: T0R[PDBj]
NIKKAJI: J33.157K
KCF data Show

ATOM        29
            1   C8x C    37.8776  -18.8122
            2   C8x C    37.8776  -20.2155
            3   C8x C    39.0929  -20.9171
            4   C8x C    40.3082  -20.2155
            5   C8y C    40.3082  -18.8122
            6   C8x C    39.0929  -18.1105
            7   C8x C    42.7387  -20.2155
            8   C8y C    42.7387  -18.8122
            9   C2c C    41.5235  -18.1105
            10  C8x C    43.9541  -20.9171
            11  C8y C    45.1694  -20.2155
            12  C8x C    45.1694  -18.8122
            13  C8x C    43.9541  -18.1105
            14  C2c C    41.5235  -16.7072
            15  C8y C    42.7408  -16.0044
            16  C1b C    40.3102  -16.0068
            17  C1b C    39.1129  -16.6982
            18  X   Cl   37.9223  -16.0108
            19  C8x C    43.9402  -16.6970
            20  C8x C    45.1555  -15.9954
            21  C8x C    45.1556  -14.5921
            22  C8x C    43.9563  -13.8996
            23  C8x C    42.7409  -14.6011
            24  O2a O    46.3887  -20.9194
            25  C1b C    47.5890  -20.2263
            26  C1b C    48.7781  -20.9128
            27  N1c N    49.9728  -20.2229
            28  C1a C    51.1648  -20.9110
            29  C1a C    49.9728  -18.8125
BOND        31
            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   16  17 1
            19   17  18 1
            20   15  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   15  23 1
            26   11  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 1

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