Analyte Name

Cabastine Hydrochloride Dicarboxylic Acid

Molecular Formula

C26H31ClFNO4 •(HCl)

Molecular Weight

475.99

Accurate Mass

475.2

SMILES

FC1=CC=C(C=C1)[C@@]2(CC[C@H](CC2)N3CC[C@](C(O)=O)([C@H](C3)C)C4=CC=CC=C4)C(O)=O.Cl

InChI

InChI=1S/C26H30FNO4.ClH/c1-18-17-28(16-15-26(18,24(31)32)20-5-3-2-4-6-20)22-11-13-25(14-12-22,23(29)30)19-7-9-21(27)10-8-19;/h2-10,18,22H,11-17H2,1H3,(H,29,30)(H,31,32);1H/t18-,22-,25+,26-;/m0./s1

IUPAC

(3R,4S)-1-((1s,4S)-4-carboxy-4-(4-fluorophenyl)cyclohexyl)-3-methyl-4-phenylpiperidine-4-carboxylic acid hydrochloride

Alternate CAS Number

2575516-82-2

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat