mesulergine (CHEBI:73378)

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CHEBI:73378 - mesulergine

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ChEBI ID	CHEBI:73378
ChEBI Name	mesulergine
Stars
Definition	A member of the class of ergot alkaloids that is known to act on serotonin and dopamine receptors.
Last Modified	22 November 2018
Submitter	Margaret Duesbury
Downloads	Molfile

Formula	C18H26N4O2S
Net Charge	0
Average Mass	362.499
Monoisotopic Mass	362.17765
SMILES	[H][C@@]12Cc3cn(C)c4cccc(c34)[C@@]1([H])C[C@H](NS(=O)(=O)N(C)C)CN2C
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

Wikipedia

Roles Classification

Biological Roles:	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.
Applications:	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. antiparkinson drug A drug used in the treatment of Parkinson's disease.

ChEBI Ontology

Outgoing Relation(s)
	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 organic heterotetracyclic compound (CHEBI:38163)
	mesulergine (CHEBI:73378) is a organic molecular entity (CHEBI:50860)
	mesulergine (CHEBI:73378) is a sulfamides (CHEBI:51871)

IUPAC Name
N'-[(8α)-1,6-dimethylergolin-8-yl]-N,N-dimethylsulfuric diamide

INNs	Source
mesulergina	ChemIDplus
mesulergine	ChemIDplus
mésulergine	WHO MedNet
mesulerginum	ChemIDplus

Synonym	Source
N'-(1,6-Dimethylergolin-8alpha-yl)-N,N-dimethylsulfamide	ChemIDplus

Manual Xrefs	Databases
LSM-4045	LINCS
Mesulergine	Wikipedia
US4515950	Patent

Registry Numbers	Sources
Reaxys:714438	Reaxys
CAS:64795-35-3	ChemIDplus

Citations