Rupatadine Fumarate

Analyte Name

Rupatadine Fumarate

CAS Number

182349-12-8

Molecular Formula

C26 H26 Cl N3 . C4 H4 O4

Molecular Weight

532.03

Accurate Mass

531.1925

SMILES

Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc5cccnc35)CC2)c1.OC(=O)\C=C\C(=O)O

InChI

InChI=1S/C26H26ClN3.C4H4O4/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25;5-3(6)1-2-4(7)8/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

IUPAC

(E)-but-2-enedioic acid;8-chloro-11-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine

Alternate CAS Number

Free base: 158876-82-5

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Rupatadine Fumarate

Purity

>95% (HPLC)