Benzyl 3-((3-(Aminomethyl)-5-methylhexanamido)methyl)-5-methylhexanoate

Ref. TR-B224745

Produktinformation

• Name: Benzyl 3-((3-(Aminomethyl)-5-methylhexanamido)methyl)-5-methylhexanoate

Beschreibung

Applications Benzyl 3-((3-(Aminomethyl)-5-methylhexanamido)methyl)-5-methylhexanoate is an intermediate in synthesizing 4,9-Diisobutyl-1,6-diazecane-2,7-dione (D456300), an impurity of rac-Pregabalin (P704800) which is a GABA analogue used as an anticonvulsant.
References Taylor, C.P., at al.: Epilepsy Res., 14, 11 (1993), Field, M.J., et al.: Pain, 80, 391 (1999)

• Marke: TRC

Chemische Eigenschaften

• Molekulargewicht: 390.56
• Formel: C₂₃H₃₈N₂O₃
• Farbe/Form: Pale Yellow Solid
• InChl: InChI=1S/C20H14N2O10S3/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)/b22-21+
• InChI Key: InChIKey=IRPXADUBAQAOKL-QURGRASLSA-N
• SMILES: O=S(=O)(O)c1ccc2c(/N=N/c3ccc(S(=O)(=O)O)c4ccccc34)c(O)c(S(=O)(=O)O)cc2c1