| Entry |
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| Name |
Hexestrol diphosphate sodium;
Diethylstilbestrol diphosphate tetrasodium salt;
Stilphostrol (TN) |
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| Formula |
C18H18O8P2. 4Na
|
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| Exact mass |
516.0068
|
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| Mol weight |
516.2373
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Hormonal agent
DG01584 Estrogen receptor agonist
|
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| Remark |
|
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| Efficacy |
Antineoplastic, Estrogen receptor agonist |
|---|
| Comment |
Active form of prodrug: Diethylstilbestrol [DR: D00577]
|
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| Target |
|
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| Pathway |
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| Structure map |
| map07226 | Progesterone, androgen and estrogen receptor agonists/antagonists |
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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
G03C ESTROGENS
G03CB Synthetic estrogens, plain
G03CB02 Diethylstilbestrol
D07826 Hexestrol diphosphate sodium
G03CC Estrogens, combinations with other drugs
G03CC05 Diethylstilbestrol
D07826 Hexestrol diphosphate sodium
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L02 ENDOCRINE THERAPY
L02A HORMONES AND RELATED AGENTS
L02AA Estrogens
L02AA01 Diethylstilbestrol
D07826 Hexestrol diphosphate sodium
L02AA04 Fosfestrol
D07826 Hexestrol diphosphate sodium
Drug groups [BR:br08330]
Hormonal agent
DG01584 Estrogen receptor agonist
DG00466 Diethylstilbestrol
D07826 Hexestrol diphosphate sodium
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D07826 Hexestrol diphosphate sodium
Drug groups [BR:br08330]
Hormonal agent
DG01584 Estrogen receptor agonist
DG00466 Diethylstilbestrol
Prodrugs [br08324.html]
DG00466
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| Other DBs |
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| KCF data |
ATOM 32
1 C2c C 24.2200 -17.2900
2 C2c C 24.2200 -18.6900
3 C8y C 22.9600 -16.5900
4 C1b C 25.4100 -16.5900
5 C8y C 25.4100 -19.3900
6 C1b C 22.9600 -19.3900
7 C8x C 21.7700 -17.2900
8 C8x C 22.9600 -15.1900
9 C1a C 26.6000 -17.2900
10 C8x C 25.4100 -20.7900
11 C8x C 26.6000 -18.6900
12 C1a C 21.7700 -18.6900
13 C8x C 20.5100 -16.5900
14 C8x C 21.7700 -14.4900
15 C8x C 26.6000 -21.4900
16 C8x C 27.8600 -19.3900
17 C8y C 20.5100 -15.1900
18 C8y C 27.8600 -20.7900
19 O2b O 19.3200 -14.4900
20 O2b O 29.0500 -21.4900
21 P1b P 18.1300 -15.1900
22 P1b P 30.2400 -20.7900
23 O1c O 16.8700 -15.8900
24 O1c O 17.4300 -13.9300 #-
25 O1c O 18.8300 -16.3800 #-
26 O1c O 31.5000 -20.0900
27 O1c O 29.5400 -19.6000 #-
28 O1c O 30.9400 -21.9800 #-
29 Z Na 16.6600 -11.8300 #+
30 Z Na 16.3800 -17.9900 #+
31 Z Na 30.3800 -17.5700 #+
32 Z Na 30.4500 -24.0800 #+
BOND 29
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 2
10 5 11 1
11 6 12 1
12 7 13 1
13 8 14 2
14 10 15 1
15 11 16 2
16 13 17 2
17 15 18 2
18 17 19 1
19 18 20 1
20 19 21 1
21 20 22 1
22 14 17 1
23 16 18 1
24 21 23 2
25 21 24 1
26 21 25 1
27 22 26 2
28 22 27 1
29 22 28 1
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