Loratadine-[13C6]

General Information
Catalog: BLP-001350
Molecular Formula: C16[13C]6H23ClN2O2
Molecular Weight: 388.84
Related CAS: 79794-75-5 (unlabelled)
Description A labelled compound of Loratadine. Loratadine is a histamine H1 receptor antagonist, used to treat allergies. It also acts as a selective inhibitor of B(0)AT2 with IC50 of 4μM.
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)piperidine-1-carboxylate
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/i7+1,8+1,14+1,17+1,18+1,19+1
InChI Key JCCNYMKQOSZNPW-JGCXYCDRSA-N
Purity 98%; 99% atom 13C
Solubility Soluble in Acetonitrile or Dimethyl sulfoxide

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