Analyte Name

3-Pyridinecarboxylic Acid Rupatadine

CAS Number

156522-92-8

Molecular Formula

C26 H24 Cl N3 O2

Molecular Weight

445.941

Accurate Mass

445.156

SMILES

OC(=O)c1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc5cccnc35)CC2)c1

InChI

InChI=1S/C26H24ClN3O2/c27-22-5-6-23-20(13-22)4-3-19-2-1-9-29-25(19)24(23)18-7-10-30(11-8-18)16-17-12-21(26(31)32)15-28-14-17/h1-2,5-6,9,12-15H,3-4,7-8,10-11,16H2,(H,31,32)

IUPAC

5-[[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]methyl]pyridine-3-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat