Product Code

TRC-D294380

CAS Number

145195-52-4

Product Format

Neat

Molecular Formula

C19 H23 N O2 S2 . H Cl

Molecular Weight

397.982

Product Categories

TRC

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Desmethyl Tiagabine Hydrochloride

CAS Number

145195-52-4

Molecular Formula

C19 H23 N O2 S2 . H Cl

Molecular Weight

397.982

Accurate Mass

397.094

SMILES

Cl.Cc1ccsc1\C(=C/CCN2CCC[C@H](C2)C(=O)O)\c3cccs3

InChI

InChI=1S/C19H23NO2S2.ClH/c1-14-8-12-24-18(14)16(17-7-4-11-23-17)6-3-10-20-9-2-5-15(13-20)19(21)22;/h4,6-8,11-12,15H,2-3,5,9-10,13H2,1H3,(H,21,22);1H/b16-6-;/t15-;/m1./s1

IUPAC

(3R)-1-[(Z)-4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid;hydrochloride

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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