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Product Overview

Product Code

TRC-R701653

CAS Number

158876-82-5

Product Format

Neat

Molecular Formula

C26H26ClN3

Molecular Weight

415.965

Product Categories

Pain and Inflammation, Memory, Learning and Cognition, TRC, Histamine receptors, Schizophrenia, Sleep, API Reference Standards & Research Materials

Product Type

API

Product Information

Chemical Data

Analyte Name

Rupatadine

CAS Number

158876-82-5

Molecular Formula

C26H26ClN3

Molecular Weight

415.965

Accurate Mass

415.182

SMILES

CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2

InChI

InChI=1S/C26H26ClN3/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/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3

IUPAC

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

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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