Analyte Name

3-Hydroxyphenyl Cabastine

Molecular Formula

C26H29FN2O3

Molecular Weight

436.53

Accurate Mass

436.22

SMILES

OC1=CC=CC([C@](CC2)(C(O)=O)[C@H](C)CN2C3CCC(C#N)(C4=CC=C(F)C=C4)CC3)=C1

InChI

InChI=1S/C26H29FN2O3/c1-18-16-29(14-13-26(18,24(31)32)20-3-2-4-23(30)15-20)22-9-11-25(17-28,12-10-22)19-5-7-21(27)8-6-19/h2-8,15,18,22,30H,9-14,16H2,1H3,(H,31,32)/t18-,22?,25?,26-/m1/s1

IUPAC

(3S,4R)-1-(4-cyano-4-(4-fluorophenyl)cyclohexyl)-4-(3-hydroxyphenyl)-3-methylpiperidine-4-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat