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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:73378 - mesulergine
Main
ChEBI Ontology
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ChEBI Name
mesulergine
ChEBI ID
CHEBI:73378
Definition
A member of the class of ergot alkaloids that is known to act on serotonin and dopamine receptors.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Margaret Duesbury
Supplier Information
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Read full article at Wikipedia
Formula
C18H26N4O2S
Net Charge
0
Average Mass
362.491
Monoisotopic Mass
362.17765
InChI
InChI=1S/C18H26N4O2S/c1-
20(2)
25(23,24)
19-
13-
9-
15-
14-
6-
5-
7-
16-
18(14)
12(10-
21(16)
3)
8-
17(15)
22(4)
11-
13/h5-
7,10,13,15,17,19H,8-
9,11H2,1-
4H3/t13-
,15+,17+/m0/s1
InChIKey
JLVHTNZNKOSCNB-YSVLISHTSA-N
SMILES
C1=C2C3=C(C=CC=C3[C@@]4([C@@](C2)(N(C[C@H](C4)NS(N(C)C)(=O)=O)C)[H])[H])N1C
Roles Classification
Biological Role
(s):
dopamine agonist
A drug that binds to and activates dopamine receptors.
serotonergic antagonist
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
Application
(s):
antiparkinson drug
A drug used in the treatment of Parkinson's disease.
dopamine agonist
A drug that binds to and activates dopamine receptors.
serotonergic antagonist
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
mesulergine (
CHEBI:73378
)
has parent hydride
ergoline (
CHEBI:38484
)
mesulergine (
CHEBI:73378
)
has role
antiparkinson drug (
CHEBI:48407
)
mesulergine (
CHEBI:73378
)
has role
dopamine agonist (
CHEBI:51065
)
mesulergine (
CHEBI:73378
)
has role
serotonergic antagonist (
CHEBI:48279
)
mesulergine (
CHEBI:73378
)
is a
ergot alkaloid (
CHEBI:23943
)
mesulergine (
CHEBI:73378
)
is a
sulfamides (
CHEBI:51871
)
IUPAC Name
N
'-[(8α)-1,6-dimethylergolin-8-yl]-
N
,
N
-dimethylsulfuric diamide
INNs
Sources
mesulergina
ChemIDplus
mésulergine
WHO MedNet
mesulergine
ChemIDplus
mesulerginum
ChemIDplus
Synonym
Source
N'-(1,6-Dimethylergolin-8alpha-yl)-N,N-dimethylsulfamide
ChemIDplus
Manual Xrefs
Databases
LSM-4045
LINCS
Mesulergine
Wikipedia
US4515950
Patent
View more database links
Registry Numbers
Types
Sources
64795-35-3
CAS Registry Number
ChemIDplus
714438
Reaxys Registry Number
Reaxys
Citations
Types
Sources
21190911
PubMed citation
Europe PMC
22313641
PubMed citation
Europe PMC
23597562
PubMed citation
Europe PMC
2895480
PubMed citation
Europe PMC
3428838
PubMed citation
Europe PMC
3708600
PubMed citation
Europe PMC
3881692
PubMed citation
Europe PMC
3895033
PubMed citation
Europe PMC
4067602
PubMed citation
Europe PMC
6230246
PubMed citation
Europe PMC
6386276
PubMed citation
Europe PMC
6488683
PubMed citation
Europe PMC
6527137
PubMed citation
Europe PMC
Last Modified
22 November 2018