KEGG   COMPOUND: C07228Help
Entry
C07228                      Compound                               

Name
Raloxifene;
LY 139481
Formula
C28H27NO4S
Exact mass
473.1661
Mol weight
473.5833
Structure
Mol fileKCF fileDB search
Remark
Same as: D08465
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03X OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
    G03XC Selective estrogen receptor modulators
     G03XC01 Raloxifene
      D08465  Raloxifene (INN)
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Selective Estrogen Receptor Modifying Agents
   Raloxifene
    D08465  Raloxifene (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D08465  Raloxifene (INN)
BRITE hierarchy
Other DBs
CAS: 84449-90-1
PubChem: 9437
ChEBI: 8772
ChEMBL: CHEMBL81
PDB-CCD: RAL[PDBj]
NIKKAJI: J22.982B
LinkDB All DBs
KCF data Show

ATOM        34
            1   C8y C    18.6200  -17.5000
            2   C8x C    18.6200  -18.9000
            3   C8x C    19.8100  -19.6000
            4   C8y C    21.0700  -18.9000
            5   C8x C    21.0700  -17.5000
            6   C8x C    19.8100  -16.8000
            7   C5a C    17.4300  -16.8000
            8   C8y C    16.2400  -17.5000
            9   O5a O    17.4300  -15.4000
            10  O2a O    22.2600  -19.6000
            11  C1b C    23.4500  -18.9000
            12  C1b C    24.6400  -19.6000
            13  N1y N    25.8300  -18.9000
            14  C1x C    27.0900  -19.6000
            15  C1x C    28.3500  -18.9000
            16  C1x C    28.3500  -17.5000
            17  C1x C    27.1600  -16.8000
            18  C1x C    25.8300  -17.5000
            19  C8y C    15.1200  -16.6600
            20  S2x S    14.0000  -17.4300
            21  C8y C    14.4200  -18.7600
            22  C8y C    15.7500  -18.7600
            23  C8x C    13.6500  -19.9500
            24  C8y C    14.3500  -21.2800
            25  C8x C    15.7500  -21.2800
            26  C8x C    16.4500  -20.0200
            27  C8y C    15.1200  -15.2600
            28  C8x C    13.9300  -13.1600
            29  C8x C    13.9300  -14.5600
            30  C8x C    16.3800  -14.5600
            31  C8x C    16.3800  -13.1600
            32  C8y C    15.1200  -12.4600
            33  O1a O    15.1200  -11.0600
            34  O1a O    13.6500  -22.4700
BOND        38
            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     1   7 1
            8     7   8 1
            9     7   9 2
            10    4  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   13  18 1
            20    8  19 2
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24    8  22 1
            25   21  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   22  26 2
            30   19  27 1
            31   28  29 2
            32   29  27 1
            33   30  31 1
            34   31  32 2
            35   28  32 1
            36   32  33 1
            37   27  30 2
            38   24  34 1

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