Loratadine

Athanor · official

C₂₂H₂₃ClN₂O₂ · 382.9 g/mol

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

Also called Claritin, antihistamine

Drugs Rings

Open in Athanor

Drawn from its SMILES with RDKit

WarningCauses skin irritation · May cause an allergic skin reaction · Causes serious eye irritation · May cause respiratory irritation · Suspected of causing genetic defects · Suspected of causing cancer · Suspected of damaging fertility or the unborn child · Very toxic to aquatic life · Very toxic to aquatic life with long lasting effects

Names and identifiers

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
Synonyms: Claritin, antihistamine, Clarityn
+ 36 more
Alavert, Clarityne, Fristamin, Lisino, Bonalerg, Loracert, Loradex, Claritine, Histaloran, Lertamine, Lorastine, Loratyne, Sensibit, Civeran, Loranox, Claritin Reditabs, Aerotina, Alerpriv, Anhissen, Claratyne, Loratadina, Loritine, Restamine, Biloina, Nularef, Sch 29851, Sch-29851, Loratadine Redidose, Children's Claritin, Loratadinum, Roletra, Claritin Hives Relief, Claritin Hives Relief Reditab, NSC-758628, Clarityn rapide, DTXSID2023224
Molecular formula: C₂₂H₂₃ClN₂O₂
Empirical formula: C₂₂H₂₃ClN₂O₂
Molecular weight: 382.9 g/mol
Exact mass: 382.14481
CAS number: 79794-75-5
PubChem CID: 3957
Canonical SMILES: CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
Isomeric 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
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

log P: Log P= 5.20 at pH 7.4[1]

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 27
Rings: 4
Aromatic rings: 2
Fraction sp³ carbons (Fsp3): 0.36
H-bond donors: 0
H-bond acceptors: 3
Rotatable bonds: 1 computed here · PubChem 2
TPSA (Å²): 42.4
Formal charge: 0
XLogP3: 5.2 PubChem
Complexity: 569 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C69.01%
H6.05%
Cl9.26%
N7.32%
O8.36%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: 4.89 Crippen (Wildman and Crippen 1999)
log S (water solubility): -5.56 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 2.52 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 382.89
log P ≤ 5 (Crippen): 4.89
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 3

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Warning

Most widely reported: 111 company reports to ECHA. Source [2].

Harmful or irritant
Health hazard
Environmental hazard

H315Causes skin irritation (48.6% of reports)
H317May cause an allergic skin reaction (47.7% of reports)
H319Causes serious eye irritation (49.5% of reports)
H335May cause respiratory irritation (49.5% of reports)
H341Suspected of causing genetic defects (47.7% of reports)
H351Suspected of causing cancer (48.6% of reports)
H361Suspected of damaging fertility or the unborn child (47.7% of reports)
H400Very toxic to aquatic life (95.5% of reports)
H410Very toxic to aquatic life with long lasting effects (95.5% of reports)

Precautionary statements: P203, P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

View all classifications (4)

[2] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.9% (1 of 111) of reports.
[2] European Chemicals Agency (ECHA) · 111 reports · WarningH315, H317, H319, H335, H341, H351, H361, H400, H410
[2] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 2.3% (2 of 86) of reports.
[2] European Chemicals Agency (ECHA) · 86 reports · DangerH315, H319, H335, H351, H360, H361, H362, H400, H410

Storage

Protect Unit-of-Use packaging and Unit Dose-Hospital Pack from excessive moisture. Store between 2 deg and 30 °C (36 deg and 86 °F).[1]

Safety data sheets on the supplier’s page: ChemoSapiens, Glentham Life Sciences Ltd., Biosynth.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[2]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[3]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[4]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[5]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[6]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
[7]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.