Loratadine-[d4]

Category	Influenza Virus
CAS	381727-27-1
Description	Loratadine-[d4] is the labelled analogue of Loratadine. Loratadine is a histamine H1 receptor antagonist, used to treat allergies.

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Synonyms	Loratadine-d4; 4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic Acid-d4 Ethyl Estere; Claritine-d4; Alavert-d4; Clarityn-d4; Lisino-d4
IUPAC Name	ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)-2,2,6,6-tetradeuteriopiperidine-1-carboxylate
Molecular Weight	386.91
Molecular Formula	C22H19D4ClN2O2
Canonical SMILES	CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
InChI	InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3/i12D2,13D2
InChIKey	JCCNYMKQOSZNPW-IDPVZSQYSA-N
Melting Point	>123°C (dec.)
Purity	98% by HPLC; 98% atom D
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	Off-white to Pale Brown Solid
Storage	Store at -20°C
Complexity	569
Exact Mass	386.1699127
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
Target	Histamine Receptor; Influenza Virus
XLogP3-AA	5.2