Compound Summary
Methiothepin mesylate
Compound Information
Methiothepin mesylate
Compound Name: | Methiothepin mesylate |
Compound CID: | 3039995 |
Synonyms: | Methiothepin mesylate Methiothepin mesylate salt 74611-28-2 51482-89-4 methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzob1benzothiepin-5-yl)piperazine More... |
Iupac Name: | methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine |
InChI: | InChI=1S/C20H24N2S2.CH4O3S/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20;1-5(2,3)4/h3-8,14,18H,9-13H2,1-2H3;1H3,(H,2,3,4) |
InChIKey: | CZMDZGZYKOGLJY-UHFFFAOYSA-N |
Canonical Smiles: | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC.CS(=O)(=O)O |
Isomeric Smiles: | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC.CS(=O)(=O)O |
Molecular Weight: | 452.7 |
Molecular Formula: | C21H28N2O3S3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Methiothepin mesylate
Molecular Weight: | 452.7 |
Molecular Formula: | C21H28N2O3S3 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 29 |
Complexity: | 503 |
Synonyms
Methiothepin mesylate
| Methiothepin mesylate | Methiothepin mesylate |
|---|---|
Methiothepin mesylate |
Methiothepin mesylate salt |
74611-28-2 |
51482-89-4 |
methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzob1benzothiepin-5-yl)piperazine |
Metitepine mesylate;Ro 8-6837 mesylate |
Methiothepin methanesulfonate |
MLS000859918 |
Metitepine mesylate salt |
1-10,11-Dihydro-8-(methylthio)dibenzob,fthiepin-10-yl-4-methylpiperazine mesylate salt |
SMR000326779 |
SR-01000075560 |
Metitepine mesylate |
1-10,11-Dihydro-8-(methylthio)dibenzob,fthiepin-10-yl-4-methylpiperazine maleate |
Ro 8-6837 mesylate |
SCHEMBL466985 |
CHEMBL1256737 |
DTXSID30965810 |
QCR-168 |
REGID_for_CID_3039995 |
DTXSID501017459 |
HMS2236E08 |
HMS3262B09 |
HMS3370K15 |
ZCA61128 |
Tox21_500804 |
MFCD00153831 |
AKOS026750379 |
CCG-213887 |
LP00804 |
NCGC00016164-02 |
NCGC00094137-01 |
NCGC00261489-01 |
Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate |
HY-107836 |
CS-0030713 |
EU-0100804 |
M-149 |
Methiothepin mesylate salt, >=98% (HPLC), solid |
SR-01000075560-1 |
1-10,11-Dihydro--8-(methylthio)dibenzob,fthiepin-10-yl-4-methylpiperazine mesylate |
1-10,11-Dihydro-8-(methylthio)dibenzob,fthiepin-10-yl-4-methylpiperazine mesylat salt |
1-methyl-4-(8-(methylthio)-10,11-dihydrodibenzob,fthiepin-10-yl)piperazine methanesulfonate |
Methanesulfonic acid--1-methyl-4-8-(methylsulfanyl)-10,11-dihydrodibenzob,fthiepin-10-ylpiperazine (1/1) |
Experimental Data
Methiothepin mesylate
| 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 | 33.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Methiothepin mesylate
Statistics Data
Methiothepin mesylate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | 1 | 1 |
Statistics Data Visualization
Methiothepin mesylate
