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· · COA & SDS available for every product · Same-day shipping on in-stock items Mesulergine hydrochloride - ≥99%(HPLC) , CAS No.72786-12-0
Synonyms
CU 32-085 | (6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline;hydrochloride | Mesulergine HCl | AKOS024456723 | DTXSID40223115 | CQ-32085 | N'-((8-alpha)-1,6-Dimethylergolin-8-yl)-N,N-dimethylsulfamide
Storage
Room temperature,Desiccated
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Why this grade ≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Desiccated Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
CU 32-085 | (6aR, 9S, 10aR)-9-(dimethylsulfamoylamino)-4, 7-dimethyl-6, 6a, 8, 9, 10, 10a-hexahydroindolo[4, 3-fg]quinoline;hydrochloride | Mesulergine HCl | AKOS024456723 | DTXSID40223115 | CQ-32085 | N'-((8-alpha)-1, 6-Dimethylergolin-8-yl)-N, N-dimethylsulfamide
Specifications & Purity
≥99%(HPLC)
Biochemical and Physiological Mechanisms
5-HT2Aand2Creceptor antagonist (pA2values are 9.1 for each receptor) and D2-like dopamine receptor partial agonist (Ki= 8 nM). Displays antiprolactin and antiparkinsonian effectsin vivo.
Storage
Room temperature, Desiccated
Names and Identifiers Canonical Smiles CN1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C)NS(=O)(=O)N(C)C.Cl IUPAC Name (6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline;hydrochloride InChIKey HANSYUJEPWNHIM-IVMONYBCSA-N INCHI 1S/C18H26N4O2S.ClH/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;1H/t13-,15+,17+;/m0./s1 Isomeric SMILES CN1C[C@H](C[C@H]2[C@H]1CC3=CN(C4=CC=CC2=C34)C)NS(=O)(=O)N(C)C.Cl PubChem CID 155746 Molecular Weight 398.95
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Quinolines and derivatives Subclass Indoloquinolines Intermediate Tree Nodes Not available Direct Parent Indoloquinolines Alternative Parents Ergoline and derivatives Benzoquinolines Pyrroloquinolines 3-alkylindoles N-alkylindoles Isoindoles and derivatives Aralkylamines N-methylpyrroles Piperidines Sulfuric acid diamides Benzenoids Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents Ergoline skeleton - Indoloquinoline - Benzoquinoline - Pyrroloquinoline - N-alkylindole - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Alkaloid or derivatives - Aralkylamine - Benzenoid - N-methylpyrrole - Sulfuric acid diamide - Piperidine - Substituted pyrrole - Heteroaromatic compound - Organic sulfuric acid or derivatives - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Amine - Hydrochloride - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as indoloquinolines. These are polycyclic aromatic compounds containing an indole fused to a quinoline. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solvent:DMSO, Max Conc. mg/mL: 39.9, Max Conc. mM: 100; Solvent:water, Max Conc. mg/mL: 1.99, Max Conc. mM: 5 with gentle warming Molecular Weight 399.000 g/mol XLogP3 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 398.154 Da Monoisotopic Mass 398.154 Da Topological Polar Surface Area 66.000 Ų Heavy Atom Count 26 Formal Charge 0 Complexity 605.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 3 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 2
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