| Entry |
|
|---|
| Name |
Trioxifene mesylate (USAN) |
|---|
| Formula |
C30H31NO3. CH4SO3
|
|---|
| Exact mass |
549.2185
|
|---|
| Mol weight |
549.6777
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01585 Estrogen receptor antagonist
DG01620 Tamoxifene-type antineoplastic
Hormonal agent
DG01619 Estrogen receptor antagonist/modulator
|
|---|
| Efficacy |
Antineoplastic, Selective estrogen receptor modulator (SERM) |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01585 Estrogen receptor antagonist
DG01620 Tamoxifene-type antineoplastic
D06245 Trioxifene mesylate
Hormonal agent
DG01619 Estrogen receptor antagonist/modulator
D06245 Trioxifene mesylate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D06245 Trioxifene mesylate (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 39
1 O1d O 24.1859 -18.1427
2 S4a S 24.1859 -19.5436
3 C1a C 22.7850 -19.5436
4 O1d O 25.5868 -19.5436
5 O1d O 24.1859 -20.9444
6 C8y C 17.5700 -24.7800
7 C8x C 17.5700 -26.1800
8 C8x C 18.7824 -26.8800
9 C8y C 19.9949 -26.1800
10 C8x C 19.9949 -24.7800
11 C8x C 18.7824 -24.0800
12 C5a C 16.3576 -24.0800
13 C2y C 15.1621 -24.7704
14 O5a O 16.3575 -22.6802
15 C2y C 13.9747 -24.0849
16 C1x C 12.7623 -24.7850
17 C1x C 12.7624 -26.1850
18 C8y C 13.9497 -26.8704
19 C8y C 15.1621 -26.1704
20 C8x C 13.9497 -28.2704
21 C8x C 15.1622 -28.9704
22 C8x C 16.3746 -28.2704
23 C8x C 16.3746 -26.8704
24 C8y C 13.9746 -22.6802
25 C8x C 15.2060 -21.9689
26 C8x C 15.2057 -20.5689
27 C8y C 13.9931 -19.8692
28 C8x C 12.7617 -20.5805
29 C8x C 12.7620 -21.9805
30 O2a O 13.9928 -18.4800
31 C1a C 15.2105 -17.7767
32 O2a O 21.2260 -26.8910
33 C1b C 22.4312 -26.1953
34 C1b C 23.6135 -26.8781
35 N1y N 24.8075 -26.1888
36 C1x C 26.1270 -26.5616
37 C1x C 26.8927 -25.4239
38 C1x C 26.0474 -24.3441
39 C1x C 24.7592 -24.8144
BOND 42
1 1 2 2
2 2 3 1
3 2 4 1
4 2 5 2
5 6 7 2
6 7 8 1
7 8 9 2
8 9 10 1
9 10 11 2
10 6 11 1
11 6 12 1
12 12 13 1
13 12 14 2
14 13 15 2
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 13 19 1
20 18 20 2
21 20 21 1
22 21 22 2
23 22 23 1
24 19 23 2
25 15 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 27 28 1
30 28 29 2
31 24 29 1
32 27 30 1
33 30 31 1
34 9 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 36 37 1
40 37 38 1
41 38 39 1
42 35 39 1
|
|---|
