COMPOUND: C14055
Help
Entry
C14055 Compound
Name
Dihydroergotoxine mesylate;
Dihydroergotoxine mesilate;
Ergoloid mesylates
Formula
C28H34N5O5R. CH4SO3
Structure
Mol file
KCF file
DB search
Remark
Same as:
D02268
Comment
Dihydroergocornine (R = CH(CH3)2) [CPD:
C14053
]
Dihydroergocristine (R = CH2C6H5) [CPD:
C13168
]
Dihydro-alpha-ergocryptine (R = CH2CH(CH3)2) [CPD:
C13167
]
Dihydro-beta-ergocryptine (R = CH(CH3)CH2CH3) [CPD:
C14054
]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:
br08303
]
C CARDIOVASCULAR SYSTEM
C04 PERIPHERAL VASODILATORS
C04A PERIPHERAL VASODILATORS
C04AE Ergot alkaloids
C04AE01 Ergoloid mesylates
D02268 Ergoloid mesylates (USP)
USP drug classification [BR:
br08302
]
Antidementia Agents
Antidementia Agents, Other
Ergoloid Mesylates
D02268 Ergoloid mesylates (USP)
Drug groups [BR:
br08330
]
Neuropsychiatric agent
DG01964 Ergot alkaloid
DG01963 Vasodilator, ergot alkaloid
DG01977 Dihydroergotoxine
D02268 Ergoloid mesylates
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01977 Dihydroergotoxine
D02268 Ergoloid mesylates
Target-based classification of drugs [BR:
br08310
]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRA1
D02268 Ergoloid mesylates (USP)
ADRA2
D02268 Ergoloid mesylates (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:
br08311
]
Chemicals
D02268 Dihydroergotoxine mesilate
Drug metabolizing enzymes and transporters [
br08309.html
]
Drug metabolizing enzymes
D02268
BRITE hierarchy
Other DBs
CAS:
8067-24-1
PubChem:
854293
NIKKAJI:
J323.057K
LinkDB
All DBs
KCF data
Show
ATOM 44
1 C1z C 21.1206 -15.1100
2 N1y N 21.1206 -16.3864
3 C1y C 22.2147 -14.4262
4 O2x O 19.9810 -14.4262
5 O1a O 21.0751 -13.3081
6 C1y C 22.2147 -17.0245
7 C5x C 18.8413 -16.3864
8 N1y N 23.3543 -15.1100
9 C1x C 22.2147 -13.1497
10 C1z C 18.8413 -15.1100
11 C5x C 23.3543 -16.3407
12 O5x O 17.9753 -17.2525
13 C1x C 24.4028 -14.4718
14 C1x C 24.4028 -13.1497
15 N1b N 17.2458 -14.3806
16 C1c C 18.8413 -12.6685
17 O5x O 24.4028 -17.0245
18 C5a C 15.7870 -15.0643
19 C1y C 15.7870 -16.3864
20 O5a O 14.6475 -14.4262
21 C1x C 14.6475 -17.0245
22 C1x C 16.8812 -17.0245
23 C1y C 14.6475 -18.3010
24 N1y N 16.8812 -18.3010
25 C8y C 13.5534 -18.8936
26 C1y C 15.7870 -18.9392
27 C1a C 18.0208 -18.9392
28 C8y C 13.5534 -20.2156
29 C8x C 12.4593 -18.3010
30 C1x C 15.7870 -20.2156
31 C8y C 14.6475 -20.8538
32 C8y C 12.4593 -20.8538
33 C8x C 11.3653 -18.8936
34 C8x C 14.6475 -22.1302
35 N4x N 12.4593 -22.1302
36 C8x C 11.3653 -20.2156
37 C1a C 20.0266 -11.9848
38 C1a C 17.7017 -11.9848
39 R R 22.2230 -18.3911
40 S4a S 30.8828 -17.1573
41 C1a C 29.5117 -17.1573
42 O1d O 32.2539 -17.1573
43 O1d O 30.8828 -15.7862
44 O1d O 30.8828 -18.5284
BOND 49
1 4 10 1
2 6 11 1
3 7 12 2
4 8 13 1
5 9 14 1
6 10 15 1
7 10 16 1 #Up
8 11 17 2
9 15 18 1
10 19 18 1 #Up
11 18 20 2
12 19 21 1
13 19 22 1
14 21 23 1
15 22 24 1
16 23 25 1
17 23 26 1
18 24 27 1
19 25 28 1
20 25 29 2
21 26 30 1
22 28 31 1
23 28 32 2
24 29 33 1
25 31 34 2
26 32 35 1
27 32 36 1
28 7 10 1
29 8 11 1
30 13 14 1
31 24 26 1
32 30 31 1
33 33 36 2
34 34 35 1
35 16 37 1
36 16 38 1
37 1 2 1
38 1 3 1
39 1 4 1
40 1 5 1 #Down
41 2 6 1
42 2 7 1
43 3 8 1
44 3 9 1
45 6 39 1 #Down
46 40 41 1
47 40 42 1
48 40 43 2
49 40 44 2
» Japanese version
DBGET
integrated database retrieval system
