| Entry |
|
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| Name |
Estramustine phosphate sodium hydrate (JAN);
Estramustine phosphate sodium monohydrate;
Estracyt (TN);
Emcyt (TN) |
|---|
| Formula |
C23H30Cl2NO6P. 2Na. H2O
|
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| Exact mass |
581.1089
|
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| Mol weight |
582.36
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Antineoplastic
DG01677 Alkylating agent
DG01678 Nitrogen mustard analog
|
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| Remark |
| Therapeutic category: | 4219 |
| Product (DG00724): | D06397<JP> |
|
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| Efficacy |
Antineoplastic, Alkylating agent |
|---|
| Disease |
Carcinoma of the prostate [DS: H00024] |
|---|
| Comment |
Active form of prodrug: Estramustine [DR: D04066]
|
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| Target |
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| Interaction |
|
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| Structure map |
| map07040 | Antineoplastics - alkylating agents |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01X OTHER ANTINEOPLASTIC AGENTS
L01XX Other antineoplastic agents
L01XX11 Estramustine
D06397 Estramustine phosphate sodium hydrate (JAN) <JP>
USP drug classification [BR:br08302]
Antineoplastics
Antiestrogens/Modifiers
Estrogen Antagonist
Estramustine
D06397 Estramustine phosphate sodium hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
4 Agents affecting cellular function
42 Antineoplastics
421 Alkylating agents
4219 Others
D06397 Estramustine phosphate sodium hydrate (JAN)
Drug groups [BR:br08330]
Antineoplastic
DG01677 Alkylating agent
DG01678 Nitrogen mustard analog
DG00724 Estramustine
D06397 Estramustine phosphate sodium hydrate
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
SRD5A2
D06397 Estramustine phosphate sodium hydrate (JAN) <JP>
Not elsewhere classified
Cellular process
Cytoskeleton
TUBB
D06397 Estramustine phosphate sodium hydrate (JAN) <JP>
Drug groups [BR:br08330]
Antineoplastic
DG01677 Alkylating agent
DG01678 Nitrogen mustard analog
DG00724 Estramustine
Prodrugs [br08324.html]
DG00724
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 36
1 O0 O 35.9787 -22.9592
2 C8x C 27.9140 -21.1311
3 C8y C 27.9140 -22.5072
4 C8x C 29.1087 -23.1953
5 C8x C 29.1087 -20.4429
6 C8y C 30.2963 -21.1311
7 C8y C 30.2903 -22.5072
8 C1x C 31.4792 -23.2003
9 C1x C 32.6741 -22.5173
10 C1y C 31.4911 -20.4481
11 C1y C 32.6741 -21.1441
12 C1x C 32.6966 -18.3991
13 C1x C 31.4556 -19.0755
14 C1z C 33.8794 -19.0950
15 C1y C 33.8629 -20.4633
16 C1x C 36.2329 -20.4455
17 C1x C 36.2496 -19.1237
18 C1y C 35.0728 -18.4252
19 O2b O 35.0658 -17.0442
20 C1a C 33.8703 -17.7184
21 O7a O 26.7225 -23.1960
22 C7a C 25.5303 -22.5083
23 N1c N 24.3390 -23.1971
24 O6a O 25.5296 -21.1322
25 C1b C 23.1468 -22.5097
26 C1b C 24.3397 -24.5733
27 P1b P 35.0588 -15.6681
28 O1c O 35.0518 -14.2919
29 O1c O 36.4350 -15.6681 #-
30 O1c O 33.6826 -15.6681 #-
31 C1b C 23.1465 -21.1402
32 X Cl 21.9516 -20.4504
33 C1b C 25.5662 -25.2807
34 X Cl 25.5667 -26.6699
35 Z Na 31.3196 -15.7098 #+
36 Z Na 38.2769 -15.7098 #+
BOND 36
1 18 14 1
2 15 16 1
3 7 8 1
4 18 19 1 #Up
5 8 9 1
6 14 20 1 #Up
7 9 11 1
8 3 21 1
9 10 6 1
10 21 22 1
11 3 4 1
12 22 23 1
13 4 7 2
14 22 24 2
15 6 5 2
16 23 25 1
17 5 2 1
18 10 11 1
19 11 15 1
20 23 26 1
21 14 12 1
22 12 13 1
23 19 27 1
24 13 10 1
25 27 28 2
26 27 29 1
27 27 30 1
28 2 3 2
29 6 7 1
30 14 15 1
31 16 17 1
32 17 18 1
33 25 31 1
34 31 32 1
35 26 33 1
36 33 34 1
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