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Loratadine N-oxide

CAT: 0931-T70306-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T70306-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
165739-62-8
Target
Histamine Receptor, Others
Related Pathways
Immunology/Inflammation, Neuroscience, GPCR/G Protein, Others
Bioactivity
Loratadine N-oxide is a metabolite of the histamine H1 receptor inverse agonist loratadine.
Smiles
O=N1=C2C(C=3C(=CC(Cl)=CC3)CCC2=CC=C1)=C4CCN(C(OCC)=O)CC4
Molecular Formula
C22H23ClN2O3
Molecular Weight
398.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Loratadine N-oxide
CAS Number165739-62-8
PubChem CID29982763
IUPAC Nameethyl 4-(13-chloro-4-oxido-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
Molecular FormulaC22H23ClN2O3
Molecular Weight398.9
XLogP4.2
Topological Polar Surface Area55
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity601
SMILES
CCOC(=O)N1CCC(=C2C3=C(CCC4=C2[N+](=CC=C4)[O-])C=C(C=C3)Cl)CC1
InChI
InChI=1S/C22H23ClN2O3/c1-2-28-22(26)24-12-9-15(10-13-24)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-25(27)21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
InChIKey
AEYRDESTWAYZTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Loratadine N-oxide
CAS: 165739-62-8
CID: 29982763
Formula: C22H23ClN2O3
MW: 398.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.9
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass398.1397203
Monoisotopic Mass398.1397203
Topological Polar Surface Area55 Ų
Heavy Atom Count28
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
281280-01Loratadine N-oxide
015665Loratadine-d4 N-Oxide
TRC-L469592-1MGLoratadine-d4 Epoxide N-Oxide
TRC-H947746-100MG11-(N-Hydroxy) Loratadine 1-Oxide
RM-L182093-01N-Nitroso-Loratadine Impurity 93
RM-L182094-01N-Nitroso-Loratadine Impurity 94
RM-L182095-01N-Nitroso-Loratadine Impurity 95
sc-49046611-Hydroxy-N-methyl Dihydro Loratadine
HY-17043-01Loratadine

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