Nombre del analito

(R)-Tiagabine 4-Carboxy-O-methyl

Número CAS

938158-99-7

Fórmula molecular

C21 H27 N O2 S2

Peso molecular

389.575

Masa exacta

389.148

SMILES

COC(=O)[C@@H]1CCCN(CCC=C(c2sccc2C)c3sccc3C)C1

InChI

InChI=1S/C21H27NO2S2/c1-15-8-12-25-19(15)18(20-16(2)9-13-26-20)7-5-11-22-10-4-6-17(14-22)21(23)24-3/h7-9,12-13,17H,4-6,10-11,14H2,1-3H3/t17-/m1/s1

IUPAC

methyl (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylate

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat