Product Code
TRC-R701653
CAS Number
Product Format
Neat
Molecular Formula
C26H26ClN3
Molecular Weight
415.965
Product Categories
Pain and Inflammation, Memory, Learning and Cognition, TRC, Histamine receptors, Schizophrenia, Sleep
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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
Country of Origin
CANADA
Product Format
Neat
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