Ethyl (3R)-1-[4,4-Bis(3-Methyl-2-Thienyl)-3-Buten-1-Yl]-3-Piperidinecarboxylate
[CAS# 145821-58-5]

Identification

• Name: Ethyl (3R)-1-[4,4-Bis(3-Methyl-2-Thienyl)-3-Buten-1-Yl]-3-Piperidinecarboxylate
• Synonyms: 2-thienyl)-3-butenyl]-,ethylester,(3R)-; 3-Piperidinecarboxylic acid, 1-[4,4-bis(3-methyl- 2-thienyl)-3-buten-1-yl]-, ethyl ester, (3R)-; Tiagabine ethyl ester
• Molecular Formula: C₂₂H₂₉NO₂S₂
• Molecular Weight: 403.60
• CAS Registry Number: 145821-58-5
• SMILES: O=C(OCC)[C@H]1CN(CCC1)CC/C=C(/c2sccc2C)c3sccc3C
• InChI: 1S/C22H29NO2S2/c1-4-25-22(24)18-7-5-11-23(15-18)12-6-8-19(20-16(2)9-13-26-20)21-17(3)10-14-27-21/h8-10,13-14,18H,4-7,11-12,15H2,1-3H3/t18-/m1/s1
• InChIKey: NSGCWILIYQUGIO-GOSISDBHSA-N

Properties

• Density: 1.145g/cm³ (Cal.)
• Boiling point: 534.78°C at 760 mmHg (Cal.)
• Flash point: 277.225°C (Cal.)
• Refractive index: 1.575 (Cal.)