| Entry |
|
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| Name |
Estramustine phosphate sodium (USAN);
Emcyt (TN) |
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| Formula |
C23H30Cl2NO6P. 2Na
|
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| Exact mass |
563.0983
|
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| Mol weight |
564.3467
|
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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 |
| Product (DG00724): | D06397<JP/US> |
|
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| Efficacy |
Antineoplastic, Alkylating agent |
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| Disease |
|
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| 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
D02398 Estramustine phosphate sodium (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01677 Alkylating agent
DG01678 Nitrogen mustard analog
DG00724 Estramustine
D02398 Estramustine phosphate sodium
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
SRD5A2
D02398 Estramustine phosphate sodium (USAN)
Not elsewhere classified
Cellular process
Cytoskeleton
TUBB
D02398 Estramustine phosphate sodium (USAN)
Prodrugs [br08324.html]
D02398
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 35
1 C8x C 27.9139 -21.1310
2 C8y C 27.9139 -22.5071
3 C8x C 29.1085 -23.1952
4 C8x C 29.1085 -20.4428
5 C8y C 30.2962 -21.1310
6 C8y C 30.2902 -22.5071
7 C1x C 31.4791 -23.2002
8 C1x C 32.6739 -22.5172
9 C1y C 31.4910 -20.4480
10 C1y C 32.6739 -21.1440
11 C1x C 32.6964 -18.3990
12 C1x C 31.4555 -19.0754
13 C1z C 33.8794 -19.0949
14 C1y C 33.8629 -20.4632
15 C1x C 36.2329 -20.4454
16 C1x C 36.2496 -19.1236
17 C1y C 35.0727 -18.4251
18 O2b O 35.0657 -17.0442
19 C1a C 33.8703 -17.7183
20 O7a O 26.7223 -23.1959
21 C7a C 25.5302 -22.5082
22 N1c N 24.3388 -23.1970
23 O6a O 25.5295 -21.1321
24 C1b C 23.1467 -22.5096
25 C1b C 24.3395 -24.5732
26 P1b P 35.0587 -15.6680
27 O1c O 35.0517 -14.2919
28 O1c O 36.4350 -15.6680 #-
29 O1c O 33.6826 -15.6680 #-
30 C1b C 23.1464 -21.1402
31 X Cl 21.9516 -20.4505
32 C1b C 25.5662 -25.2807
33 X Cl 25.5667 -26.6699
34 Z Na 31.3195 -15.7097 #+
35 Z Na 38.2768 -15.7097 #+
BOND 36
1 17 13 1
2 14 15 1
3 6 7 1
4 17 18 1 #Up
5 7 8 1
6 13 19 1 #Up
7 8 10 1
8 2 20 1
9 9 5 1
10 20 21 1
11 2 3 1
12 21 22 1
13 3 6 2
14 21 23 2
15 5 4 2
16 22 24 1
17 4 1 1
18 9 10 1
19 10 14 1
20 22 25 1
21 13 11 1
22 11 12 1
23 18 26 1
24 12 9 1
25 26 27 2
26 26 28 1
27 26 29 1
28 1 2 2
29 5 6 1
30 13 14 1
31 15 16 1
32 16 17 1
33 24 30 1
34 30 31 1
35 25 32 1
36 32 33 1
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