Products 51473-23-5

CAS 51473-23-5 is the registry number for Lergotrile (mesylate). Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

2-[(6aR,9S,10aR)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile;methanesulfonic acid (CAS 51473-23-5) is a chemical compound with the molecular formula C18H22ClN3O3S and a molecular weight of 395.9 g/mol. IUPAC name: 2-[(6aR,9S,10aR)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile;methanesulfonic acid. InChIKey: WXHDJVDIJQDJMK-AYJWUPBJSA-N.

Identity
Molecular formulaC18H22ClN3O3S
Molecular weight395.9 g/mol
IUPAC name2-[(6aR,9S,10aR)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile;methanesulfonic acid
InChIKeyWXHDJVDIJQDJMK-AYJWUPBJSA-N
SMILESCN1C[C@@H](C[C@H]2[C@H]1CC3=C(NC4=CC=CC2=C34)Cl)CC#N.CS(=O)(=O)O

Computed by PubChem (NCBI)