Rupatadine

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Systematic / IUPAC Name: 8-Chloro-11-{1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene}-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine

ID: Reference4972

Other Names: 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-{1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene}- ;
8-Chloro-11-[1-(5-methyl-pyridin-3-ylmethyl)-piperidin-4-ylidene]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine;
8-Chloro-6,11-dihydro-11-{1-[(5-methyl-3-pyridyl)methyl]-4-piperidylidene}-5H-benzo[5,6]cyclohepta[1,2-b]pyridine

Formula: C26H26ClN3

Class: Therapeutics/Prescription Drugs

Spectral Data

Rupatadine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 1438
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 12/20/2017 12:55:39 PM
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Identificators

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
InChI Key WUZYKBABMWJHDL-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2
CAS
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Other Names 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-{1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene}- ;
8-Chloro-11-[1-(5-methyl-pyridin-3-ylmethyl)-piperidin-4-ylidene]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine;
8-Chloro-6,11-dihydro-11-{1-[(5-methyl-3-pyridyl)methyl]-4-piperidylidene}-5H-benzo[5,6]cyclohepta[1,2-b]pyridine

In Other Databases

KEGG D07407
PubChem 133017
ChEMBL CHEMBL91397
Wikipedia Rupatadine
ChemIDPlus 182349128; 158876825
ChemSpider 117388