KEGG   DRUG: Raloxifene hydrochloride hydrate
Entry
D10606                      Drug                                   

Name
Raloxifene hydrochloride hydrate (JAN)
Formula
C28H27NO4S. HCl. H2O
Exact mass
527.1533
Mol weight
528.0595
Structure
Simcomp
Class
Other
 DG01619  Clomifene and tamoxifen derivative
  DG01621  Cloimifene-type osteoporosis agent
Remark
Therapeutic category: 3999
ATC code: G03XC01
Chemical structure group: DG00476
Product (DG00476): D02217<JP/US> D10606<JP>
Efficacy
Osteoporosis agent, Selective estrogen receptor modulator (SERM)
Comment
Benzothiophene derivative
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
hsa04961  Endocrine and other factor-regulated calcium reabsorption
Interaction
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
      D10606  Raloxifene hydrochloride hydrate (JAN) <JP>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Selective Estrogen Receptor Modifying Agents
   Raloxifene
    D10606  Raloxifene hydrochloride hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D10606  Raloxifene hydrochloride hydrate (JAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D10606  Raloxifene hydrochloride hydrate (JAN) <JP>
Other DBs
PubChem: 254741568
LinkDB
KCF data

ATOM        36
            1   X   Cl   27.3700  -13.3000
            2   C8y C    18.6200  -17.5000
            3   C8x C    18.6200  -18.9000
            4   C8x C    19.8100  -19.6000
            5   C8y C    21.0700  -18.9000
            6   C8x C    21.0700  -17.5000
            7   C8x C    19.8100  -16.8000
            8   C5a C    17.4300  -16.8000
            9   C8y C    16.2400  -17.5000
            10  O5a O    17.4300  -15.4000
            11  O2a O    22.2600  -19.6000
            12  C1b C    23.4500  -18.9000
            13  C1b C    24.6400  -19.6000
            14  N1y N    25.8300  -18.9000
            15  C1x C    27.0900  -19.6000
            16  C1x C    28.3500  -18.9000
            17  C1x C    28.3500  -17.5000
            18  C1x C    27.1600  -16.8000
            19  C1x C    25.8300  -17.5000
            20  C8y C    15.1200  -16.6600
            21  S2x S    14.0000  -17.4300
            22  C8y C    14.4200  -18.7600
            23  C8y C    15.7500  -18.7600
            24  C8x C    13.6500  -19.9500
            25  C8y C    14.3500  -21.2800
            26  C8x C    15.7500  -21.2800
            27  C8x C    16.4500  -20.0200
            28  C8y C    15.1200  -15.2600
            29  C8x C    13.9300  -13.1600
            30  C8x C    13.9300  -14.5600
            31  C8x C    16.3800  -14.5600
            32  C8x C    16.3800  -13.1600
            33  C8y C    15.1200  -12.4600
            34  O1a O    15.1200  -11.0600
            35  O1a O    13.6500  -22.4700
            36  O0  O    27.5800  -10.7800
BOND        38
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     2   8 1
            8     8   9 1
            9     8  10 2
            10    5  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   14  19 1
            20    9  20 2
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24    9  23 1
            25   22  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   23  27 2
            30   20  28 1
            31   29  30 2
            32   30  28 1
            33   31  32 1
            34   32  33 2
            35   29  33 1
            36   33  34 1
            37   28  31 2
            38   25  35 1

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