3-Pyridinecarboxylic Acid Rupatadine
Product Code
TRC-P415740-100MG
CAS Number
Product Format
Neat
Molecular Formula
C26 H24 Cl N3 O2
Molecular Weight
445.941
Product Categories
Price and availability
Product Information
Product Data
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
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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