Mesulergine

HCID 68848

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Basic information

CAS: 64795-35-3
Standard SMILES: CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21
InChIKey: JLVHTNZNKOSCNB-YSVLISHTSA-N
Molecular formula: C18H26N4O2S
Average molar mass: 362.5 g/mol
Monoisotopic mass: 362.17764726

Overview

Mesulergine is a member of the class of ergot alkaloids that is known to act on serotonin and dopamine receptors. It has a role as a serotonergic antagonist, an antiparkinson drug and a dopamine agonist. It is an ergot alkaloid and a member of sulfamides. It derives from a hydride of an ergoline.

Names & identifiers

Preferred name: Mesulergine
IUPAC: (6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
English name: MESULERGINE
Molecular formula: C18H26N4O2S
Molecular weight: 362.49

Names & synonyms

Mesulergine64795-35-3MesulerginaMesulerginumDTXSID3046324SML95FK06IN'-(1,6-Dimethylergolin-8alpha-yl)-N,N-dimethylsulfamide(6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolineDTXCID1026324CHEBI:73378CU-32085N'-[(8alpha)-1,6-dimethylergolin-8-yl]-N,N-dimethylsulfuric diamide

Show more names

cq32085Mesulergine hydrochlSulfamide, N'-[(8α)-1,6-dimethylergolin-8-yl]-N,N-dimethyl-N'-[(8-α1,6-dimethylergolin-8-yl]-N,N-dimethylsulfamidehydrochloride

N'-((8alpha)-1,6-dimethylergolin-8-yl)-N,N-dimethylsulfuric diamide(6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo(4,3-fg)quinolineRefChem:156693Mesulergine [INN]CQ 32085CHEMBL12314NCGC00163168-01Mesulerginum [INN-Latin]

Database identifiers

CAS: 64795-35-3

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 66 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 605

Physicochemical properties

Boiling point: 545.7 · 545.7±60.0 °C(Predicted)
Density: 1.38 · 1.38±0.1 g/cm3(Predicted)
storage temp.: Desiccate at RT
pka: 11.34 · 11.34±0.20(Predicted)
FDA UNII: 95 FK06I · SML95FK06I

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 3 items

Agents used in the treatment of Parkinson's disease. The most commonly used drugs act on the dopaminergic system in the striatum and basal ganglia or are centrally acting muscarinic antagonists.

Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.

Drugs that bind to and activate dopamine receptors.

Applications

UsesMesulergine is an active compound.

Suppliers6 total

上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

EMMX Biotechnology LLC888-539-0666 · [email protected]

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Additional notes

DefinitionChEBI: A member of the class of ergot alkaloids that is known to act on serotonin and dopamine receptors.

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