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Substance
ID:1841071
Structure
Similarity
Functional Group
Text
ID:578
ergotamine
Chemical Entities of Biological Interest
ID: CHEBI:64318
Names and Identifiers
Synonyms
ergotamine
(5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
12'-Hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione
12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione
Ergotamin
Gynergen
International Nonproprietary Name (INN)
ergotamina
ergotamine
ergotaminum
IUPAC name
(4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
IUPAC Traditional name
(4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
Registration numbers
PubChem CID
8223
DrugBank ID
DB00696
CAS Number
113-15-5
Wikipedia Title
Ergotamine
KEGG ID
C07544
KNApSAcK Database
C00001724
PubMed Citation Links
9032799
10560569
23243949
24035295
12525272
12558771
9009470
12463275
8825693
11386387
10611116
22417229
22441761
22444161
22414189
22446707
21879189
22347148
21181611
21878097
21512122
28716900
23519210
23519215
29398112
32310413
31570294
29168165
Reaxys Registry
78890
ACToR Database
113-15-5
CHEMBL
CHEMBL442
CompTox Database
DTXSID9043774
Protein Data Bank
4iar
4ib4
4nc3
5tud
6bqg
7c61
SureChEMBL Database
SCHEMBL1483
UniProt Database
M1WEN5
P0CT21
Beilstein Number
78890
Chemspider ID
7,930
HMDB Database
HMDB0014834
PDBeChem Database
ERM
Drug Central Database
1,043
KEGG DRUG Database
D07906
CHEBI ID
CHEBI:64318
PubChem SID
135668323
Properties
No Data Available
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Molecule Details
A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10.
Molecular Spectra
No Data Available
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References
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