Compound Summary
Mesulergine hydrochloride
Compound Information
Mesulergine hydrochloride
Compound Name: | Mesulergine hydrochloride |
Compound CID: | 155746 |
Synonyms: | Mesulergine hydrochloride 72786-12-0 Mesulergine HCl CU-32-085 (6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo4,3-fgquinoline;hydrochloride More... |
Iupac Name: | (6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline;hydrochloride |
InChI: | 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 |
InChIKey: | HANSYUJEPWNHIM-IVMONYBCSA-N |
Canonical Smiles: | CN1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C)NS(=O)(=O)N(C)C.Cl |
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 |
Molecular Weight: | 399 |
Molecular Formula: | C18H27ClN4O2S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Mesulergine hydrochloride
Molecular Weight: | 399 |
Molecular Formula: | C18H27ClN4O2S |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 26 |
Complexity: | 605 |
Synonyms
Mesulergine hydrochloride
| Mesulergine hydrochloride | Mesulergine hydrochloride |
|---|---|
Mesulergine hydrochloride |
72786-12-0 |
Mesulergine HCl |
CU-32-085 |
(6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo4,3-fgquinoline;hydrochloride |
CU 32-085 |
N-(1,6-Dimethylergolin-8-alpha-yl)-N,N-dimethylsulfamide hydrochloride |
N-((8-alpha)-1,6-Dimethylergolin-8-yl)-N,N-dimethylsulfamide monohydrochloride |
CHEMBL2303628 |
DTXSID40223115 |
AKOS024456723 |
Sulfamide, N-((8-alpha)-1,6-dimethylergolin-8-yl)-N,N-dimethyl-, monohydrochloride" |
Sulfamide, N-((8alpha)-1,6-dimethylergolin-8-yl)-N,N-dimethyl-, monohydrochloride |
CQ-32085 |
CU-32085 |
B6815 |
N-(8-?1,6-dimethylergolin-8-yl-N,N-dimethylsulfamide hydrochloride" |
Experimental Data
Mesulergine hydrochloride
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -1.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Mesulergine hydrochloride
Statistics Data
Mesulergine hydrochloride
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -1.000000000000000 | 1 | 1 |
Statistics Data Visualization
Mesulergine hydrochloride
