| | COMPOUND: C07798 | |
Entry |
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Name |
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Formula |
C33H37N5O5
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Exact mass |
583.2795
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Mol weight |
583.6774
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Structure |
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Remark |
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Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N02 ANALGESICS
N02C ANTIMIGRAINE PREPARATIONS
N02CA Ergot alkaloids
N02CA01 Dihydroergotamine
D07837 Dihydroergotamine (INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01472 Dopamine agonist
DG01468 Dopamine D2-receptor agonist
DG00833 Dihydroergotamine
D07837 Dihydroergotamine
DG01964 Ergot alkaloid
DG01982 Antimigraine, ergot alkaloid
DG00833 Dihydroergotamine
D07837 Dihydroergotamine
Analgesic
DG01518 5-HT1B/1D-receptor agonist
DG00833 Dihydroergotamine
D07837 Dihydroergotamine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00833 Dihydroergotamine
D07837 Dihydroergotamine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR1B
D07837 Dihydroergotamine (INN)
HTR1D
D07837 Dihydroergotamine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07837
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Other DBs |
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KCF data |
ATOM 43
1 C1z C 28.3618 -13.1593
2 N1y N 28.4024 -14.4798
3 C1y C 29.5069 -12.4990
4 O2x O 27.2047 -12.4990
5 O1a O 28.3501 -11.8386
6 C1y C 29.5419 -15.1460
7 C5x C 26.0652 -14.4857
8 N1y N 30.6466 -13.1652
9 C1x C 29.5069 -11.1785
10 C1z C 26.0652 -13.1593
11 C5x C 30.6873 -14.4915
12 C1b C 29.5361 -16.4665
13 O5x O 25.1187 -15.4207
14 C1x C 31.7917 -12.5107
15 C1x C 31.7977 -11.1843
16 N1b N 24.3766 -12.4230
17 C1a C 26.0595 -11.7451
18 O5x O 31.8384 -15.1577
19 C8y C 30.6699 -17.1327
20 C5a C 22.8806 -13.1418
21 C8x C 30.6582 -18.4535
22 C8x C 31.8150 -16.4782
23 C1y C 22.8806 -14.4740
24 O5a O 21.7294 -12.4814
25 C8x C 31.7975 -19.1196
26 C8x C 32.9487 -17.1444
27 C1x C 21.7236 -15.1285
28 C1x C 24.0201 -15.1285
29 C8x C 32.9428 -18.4649
30 C1y C 21.7236 -16.4548
31 N1y N 24.0201 -16.4548
32 C8y C 20.5784 -17.1095
33 C1y C 22.8806 -17.1210
34 C1a C 25.1712 -17.1210
35 C8y C 20.5784 -18.4418
36 C8x C 19.4330 -16.4492
37 C1x C 22.8689 -18.4535
38 C8y C 21.7178 -19.1019
39 C8y C 19.4272 -19.1019
40 C8x C 18.2878 -17.1095
41 C8x C 21.7178 -20.4226
42 N4x N 19.4272 -20.4226
43 C8x C 18.2878 -18.4418
BOND 50
1 1 5 1 #Down
2 2 6 1
3 2 7 1
4 3 8 1
5 3 9 1
6 4 10 1
7 6 11 1
8 6 12 1 #Down
9 7 13 2
10 8 14 1
11 9 15 1
12 10 16 1
13 10 17 1 #Up
14 11 18 2
15 12 19 1
16 16 20 1
17 19 21 2
18 19 22 1
19 23 20 1 #Up
20 20 24 2
21 21 25 1
22 22 26 2
23 23 27 1
24 23 28 1
25 25 29 2
26 27 30 1
27 28 31 1
28 30 32 1
29 30 33 1
30 31 34 1
31 32 35 1
32 32 36 2
33 33 37 1
34 35 38 1
35 35 39 2
36 36 40 1
37 38 41 2
38 39 42 1
39 39 43 1
40 7 10 1
41 8 11 1
42 14 15 1
43 26 29 1
44 31 33 1
45 37 38 1
46 40 43 2
47 41 42 1
48 1 2 1
49 1 3 1
50 1 4 1
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