Lergotrile mesylate
2-(5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)acetonitrile;methanesulfonic acid
Also Known As: Lergotrile mesylate|Lergotrile mesylate [USAN]|AC1L231Y|CTK8I9649|EINECS 257-225-4|LY 83636|2-Chloro-6-methylergoline-8beta-acetonitrile monomethanesulfonate|2-Chloro-6-methylergoline-8beta-acetonitrile monomethanesulphonate|2-chloro-6-methylergoline-8beta-acetonitrilemonomethanesulphonate|D-2-Chloro-6-methylergoline-8-beta-acetonitrile methanesulfonic acid salt|Ergoline, 2-chloro-8-beta-(cyanomethyl)-6-methyl-, methanesulfonate, D-|Ergoline-8-acetonitrile, 2-chloro-6-methyl-, (8beta)-, monomethanesulfonate
| Molecular Formula | C18H22ClN3O3S |
|---|---|
| Molecular Weight | 395.10703 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 97.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 395.10703 |
| Heavy Atoms | 26 |
| Complexity | 956.0 |
Chemical Identifiers
| CAS Number | 51473-23-5 |
|---|---|
| SMILES | CN1CC(CC2C1CC3=C(NC4=CC=CC2=C34)Cl)CC#N.CS(=O)(=O)O |
Product Overview
Lergotrile mesylate (CAS 51473-23-5), with molecular formula C18H22ClN3O3S and molecular weight 395.10703 g/mol. IUPAC: 2-(5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)acetonitrile;methanesulfonic acid.
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