| Entry |
|
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| Name |
Raloxifene hydrochloride hydrate (JAN) |
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| Formula |
C28H27NO4S. HCl. H2O
|
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| Exact mass |
527.1533
|
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| Mol weight |
528.06
|
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| Structure |
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| Simcomp |
|
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| Class |
Hormonal agent
DG01619 Estrogen receptor antagonist/modulator
DG01621 Selective estrogen receptor modulator
Musculo-skeletal system agent
DG03232 Osteoporosis agent
|
|---|
| Remark |
| Therapeutic category: | 3999 |
| Product (DG00476): | D02217<JP/US> D10606<JP> |
|
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| Efficacy |
Osteoporosis agent, Selective estrogen receptor modulator (SERM) |
|---|
| Comment |
Benzothiophene derivative
|
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| Target |
|
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| Pathway |
| hsa04961 | Endocrine and other factor-regulated calcium reabsorption |
|
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| Interaction |
|
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| 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)
Drug groups [BR:br08330]
Hormonal agent
DG01619 Estrogen receptor antagonist/modulator
DG01621 Selective estrogen receptor modulator
DG00476 Raloxifene
D10606 Raloxifene hydrochloride hydrate
Musculo-skeletal system agent
DG03232 Osteoporosis agent
DG00476 Raloxifene
D10606 Raloxifene hydrochloride hydrate
Drug classes [BR:br08332]
Musculo-skeletal system agent
DG03232 Osteoporosis agent
D10606 Raloxifene hydrochloride hydrate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D10606 Raloxifene hydrochloride hydrate (JAN) <JP>
Drug groups [BR:br08330]
Hormonal agent
DG01619 Estrogen receptor antagonist/modulator
DG01621 Selective estrogen receptor modulator
DG00476 Raloxifene
Musculo-skeletal system agent
DG03232 Osteoporosis agent
DG00476 Raloxifene
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| Other DBs |
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| LinkDB |
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| 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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