SpectraBase Spectrum ID |
JG4BX9pvLhw |
Name |
Loratadine |
CAS Registry Number |
79794-75-5 |
Classification |
Pharmaceutical drug, H1-antihistaminic |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
382.144805687 u |
Formula |
C22H23ClN2O2 |
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 |
InChIKey |
JCCNYMKQOSZNPW-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
382.891 g/mol |
Nominal Mass |
382 u |
Quality |
968 |
Retention Index |
2972 |
SMILES |
C1(C2=C(CCC3=C1N=CC=C3)C=C(C=C2)Cl)=C1CCN(CC1)C(OCC)=O |
SPLASH |
splash10-001i-0193000000-80cadc83a52f59afcf65 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
ethyl-4-(8-chloro-5,6-dihydro-11H-benzo-[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-\rpiperidinecarboxylate |
Technique |
GC/MS |
Wiley ID |
DD2024_032787 |