Entry |
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Name |
Estramustine phosphate sodium
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Formula |
C23H30Cl2NO6P. 2Na
|
Exact mass |
563.0983
|
Mol weight |
564.34
|
Structure |

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Remark |
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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
Prodrugs [br08324.html]
C13031
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Other DBs |
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LinkDB |
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KCF data |
ATOM 35
1 C8x C 16.4775 -16.5960
2 C8y C 16.4775 -17.9684
3 C8x C 17.6690 -18.6546
4 C8x C 17.6690 -15.9096
5 C8y C 18.8535 -16.5960
6 C8y C 18.8535 -17.9684
7 C1x C 20.0333 -18.6596
8 C1x C 21.2249 -17.9785
9 C1y C 20.0450 -15.9148
10 C1y C 21.2249 -16.6088
11 C1x C 21.2474 -13.8712
12 C1x C 20.0450 -14.5458
13 C1z C 22.4272 -14.5652
14 C1y C 22.4272 -15.9300
15 C1x C 24.7744 -15.9300
16 C1x C 24.7744 -14.5939
17 C1y C 23.6104 -13.8973
18 O2b O 23.6104 -12.5199
19 C1a C 22.4272 -13.1924
20 O7a O 15.2892 -18.6553
21 C7a C 14.1002 -17.9695
22 N1c N 12.9120 -18.6564
23 O6a O 14.1002 -16.5971
24 C1b C 11.7230 -17.9709
25 C1b C 12.9120 -20.0290
26 P1b P 23.6104 -11.1474
27 O1c O 23.6104 -9.7751
28 O1c O 24.9758 -11.1474 #-
29 O1c O 22.2309 -11.1474 #-
30 C1b C 11.7230 -16.5508
31 X Cl 10.5078 -15.8503
32 C1b C 14.1239 -20.7274
33 X Cl 14.1239 -22.1400
34 Z Na 19.8740 -11.1890 #+
35 Z Na 26.8128 -11.1890 #+
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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