 | | COMPOUND: C07612 | |
| Entry |
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| Name |
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| Formula |
C59H84N16O12
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| Exact mass |
1208.6455
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| Mol weight |
1209.3983
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| Structure |
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| Remark |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L02 ENDOCRINE THERAPY
L02A HORMONES AND RELATED AGENTS
L02AE Gonadotropin releasing hormone analogues
L02AE02 Leuprorelin
D08113 Leuprorelin (INN)
Drug groups [BR:br08330]
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
DG00730 Leuprorelin
D08113 Leuprorelin
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Gonadotropin-releasing hormone
GNRHR
D08113 Leuprorelin (INN)
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| Other DBs |
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| KCF data |
ATOM 87
1 C8y C 19.3090 -17.1455
2 C8y C 19.7209 -15.8141
3 C1b C 18.1117 -17.8544
4 C8x C 20.4490 -17.9502
5 C8y C 21.1099 -15.7949
6 C8x C 19.0120 -14.6168
7 C1c C 18.1309 -19.6125
8 N4x N 21.5601 -17.1072
9 C8x C 21.7899 -14.5879
10 C8x C 19.6923 -13.4004
11 N1b N 16.9336 -20.3117
12 C5a C 19.3473 -20.2734
13 C8x C 21.0907 -13.3907
14 C5a C 15.7169 -19.6317
15 N1b N 20.5446 -19.5647
16 O5a O 19.2870 -21.6623
17 C1c C 14.5197 -20.3309
18 O5a O 15.7583 -18.2333
19 C1c C 21.7515 -20.2350
20 C1b C 14.4688 -22.2895
21 N1b N 13.3032 -19.6606
22 C5a C 22.9585 -19.5358
23 C1b C 21.7707 -21.6431
24 C8y C 15.7553 -22.9887
25 C5a C 12.1057 -20.3692
26 N1b N 24.1847 -20.2256
27 O5a O 22.9394 -18.1277
28 O1a O 22.9874 -22.3234
29 C1y C 10.8893 -19.6892
30 O5a O 12.1249 -21.7678
31 C1c C 25.3819 -19.5072
32 C1x C 9.6248 -20.2639
33 N1x N 10.7265 -18.3002
34 C1b C 25.3916 -18.1183
35 C5a C 26.6081 -20.1970
36 C1x C 8.6765 -19.2486
37 C5x C 9.3854 -18.0319
38 C8y C 26.5189 -17.3902
39 N1b N 27.8245 -19.4975
40 O5a O 26.6272 -21.6145
41 O5x O 8.7820 -16.7677
42 C8x C 27.8245 -18.0800
43 C8x C 26.5506 -15.9918
44 C1c C 29.0604 -20.1970
45 C8x C 28.9615 -17.3616
46 C8x C 27.7673 -15.2829
47 C5a C 30.2768 -19.4783
48 C1b C 29.0698 -22.5659
49 C8y C 29.0029 -15.9630
50 N1b N 31.5029 -20.1778
51 O5a O 30.3276 -18.0800
52 O1a O 30.2001 -15.2446
53 C1c C 32.6907 -19.4592
54 C5a C 33.8974 -20.1489
55 C1b C 32.6716 -17.6502
56 N1b N 35.1236 -19.4497
57 O5a O 33.8563 -21.5667
58 C1c C 33.8688 -16.9416
59 C1c C 36.3497 -20.1489
60 C1a C 33.8688 -15.5430
61 C1a C 35.0950 -17.6408
62 C5a C 37.5662 -19.4208
63 C1b C 36.3497 -21.5476
64 N1y N 38.7923 -20.1011
65 O5a O 37.5662 -18.0127
66 C1b C 35.1428 -22.2370
67 C1y C 40.1812 -20.1011
68 C1x C 38.3612 -21.4325
69 C1b C 35.1428 -23.6357
70 C1x C 40.6124 -21.4325
71 C5a C 41.5032 -19.3828
72 C1x C 39.4820 -22.2467
73 N1b N 33.9358 -24.3349
74 N1b N 42.7771 -20.1681
75 O5a O 41.5318 -17.8788
76 C2c C 32.7385 -23.6357
77 C1b C 42.7580 -21.6623
78 N1a N 32.7291 -22.2467
79 N2a N 31.5413 -24.3446
80 C1a C 43.9509 -22.3820
81 C8x C 15.9336 -24.3479
82 N5x N 17.2814 -24.5983
83 C8x C 17.9361 -23.3939
84 N4x N 16.9929 -22.3991
85 C1c C 27.8595 -23.2768
86 C1a C 26.6566 -22.5946
87 C1a C 27.8704 -24.7100
BOND 92
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 2
10 7 11 1
11 7 12 1
12 9 13 2
13 11 14 1
14 12 15 1
15 12 16 2
16 14 17 1
17 14 18 2
18 15 19 1
19 17 20 1
20 17 21 1
21 19 22 1
22 19 23 1
23 20 24 1
24 21 25 1
25 22 26 1
26 22 27 2
27 23 28 1
28 25 29 1
29 25 30 2
30 26 31 1
31 29 32 1
32 29 33 1
33 31 34 1
34 31 35 1
35 32 36 1
36 33 37 1
37 34 38 1
38 35 39 1
39 35 40 2
40 37 41 2
41 38 42 2
42 38 43 1
43 39 44 1
44 42 45 1
45 43 46 2
46 44 47 1
47 44 48 1
48 45 49 2
49 47 50 1
50 47 51 2
51 49 52 1
52 50 53 1
53 53 54 1
54 53 55 1
55 54 56 1
56 54 57 2
57 55 58 1
58 56 59 1
59 58 60 1
60 58 61 1
61 59 62 1
62 59 63 1
63 62 64 1
64 62 65 2
65 63 66 1
66 64 67 1
67 64 68 1
68 66 69 1
69 67 70 1
70 67 71 1
71 68 72 1
72 69 73 1
73 71 74 1
74 71 75 2
75 73 76 1
76 74 77 1
77 76 78 1
78 76 79 2
79 5 8 1
80 10 13 1
81 36 37 1
82 46 49 1
83 70 72 1
84 77 80 1
85 24 81 2
86 81 82 1
87 82 83 2
88 83 84 1
89 24 84 1
90 48 85 1
91 85 86 1
92 85 87 1
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