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Loratadine

CAT: 1568-C07736-02Size: 50 mgDry Ice: YesHazardous: No
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CAT#:1568-C07736-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
79794-75-5
Synonyms
SCH29851
SKU
C07736-10mg
Target
Histamine Receptor
Applications
Neuronal Signaling
Smiles
CCOC (=O) N1CCC (=C2C3=C (CCC4=C2N=CC=C4) C=C (C=C3) Cl) CC1
Molecular Formula
C22H23ClN2O2
Additionnal Information
Loratadine is a histamine H1 receptor antagonist, used to treat allergies. Also acts as a selective inhibitor of B (0) AT2 with IC50 of 4 μM.
Storage Conditions
2 years -80 in solvent

Chemical Information

Loratadine

Loratadine is a benzocycloheptapyridine that is 6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine substituted by a chloro group at position 8 and a 1-(ethoxycarbonyl)piperidin-4-ylidene group at position 11. It is a H1-receptor antagonist commonly employed in the treatment of allergic disorders. It has a role as a geroprotector, a H1-receptor antagonist, a cholinergic antagonist and an anti-allergic agent. It is a tertiary carboxamide, an ethyl ester, an organochlorine compound, a N-acylpiperidine and a benzocycloheptapyridine. It is functionally related to a desloratadine.

CAS Number79794-75-5
PubChem CID3957
IUPAC Nameethyl 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
Molecular FormulaC22H23ClN2O2
Molecular Weight382.9
XLogP5.2
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity569
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
InChIKey
JCCNYMKQOSZNPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Loratadine
CAS: 79794-75-5
CID: 3957
Formula: C22H23ClN2O2
MW: 382.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.9
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass382.1448057
Monoisotopic Mass382.1448057
Topological Polar Surface Area42.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity569
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

Alternative Products

CatalogName
HY-17043-01Loratadine

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