Desloratadine

Synonyms: Desloratadine, "Clarinex", "Descarboethoxyloratadine", "Neoclarityn", "Aerius", "Azomyr", "Desloratidine", "Denosin", "Sch 34117", "Descarboethoxyoratidine", "Clarinex RediTabs", "8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine", "8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine"

Source: Desloratadine is an antihistamine used to relieve allergy symptoms such as watery eyes, runny nose, itching eyes/nose, sneezing, hives, and itching. In addition, it is a metabolite of loratadine.

Identifiers:

IUPAC Name: 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CAS Number: 100643-71-8
PubChem ID: 124087
InChiKey: JAUOIFJMECXRGI-UHFFFAOYSA-N
Canonical SMILES: C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4

Structural Properties:

Molecular Formula: C₁₉H₁₉ClN₂
Molecular Weight: 310,800

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 22

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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