Lergotrile mesylate structure

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

CAS: 51473-23-5
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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