IUPAC Name: | 1-[4-[(2E)-2-(4-chlorobutylidene)hydrazinyl]phenyl]-N-methylmethanesulfonamide |
Description: | 4-[2-(4-Chlorobutylidene)hydrazinyl]-N-methylbenzenemethanesulfonamide is an intermediate in the synthesis of 3-(2-Aminoethyl)-N-methyl-1H-indole-5-methanesulfonamide (Didesmethyl Sumatriptan) (Sumatriptan EP Impurity E) (A609165), which is an antimigraine agent. A Sumatriptan intermediate. |
Molecular Weight: | 303.81 |
Molecular Formula: | C12H18ClN3O2S |
Canonical SMILES: | CNS(=O)(=O)CC1=CC=C(C=C1)NN=CCCCCl |
InChI: | InChI=1S/C12H18ClN3O2S/c1-14-19(17,18)10-11-4-6-12(7-5-11)16-15-9-3-2-8-13/h4-7,9,14,16H,2-3,8,10H2,1H3/b15-9+ |
InChI Key: | UZOHLGLRNFEUKD-OQLLNIDSSA-N |
Melting Point: | >71°C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Light Brown to Light Orange Solid |
Storage: | - 86°C, Hygroscopic |
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