LEVOCABASTINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1993)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 124XMA6YEI
Parent Compound: LEVOCABASTINE

Structure
InChI Key OICFWWJHIMKBCD-VALQNVSPSA-N
Smile C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1.Cl
InChI
InChI=1S/C26H29FN2O2.ClH/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20;/h2-10,19,23H,11-17H2,1H3,(H,30,31);1H/t19-,23-,25-,26-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H30ClFN2O2
Molecular Weight 456.99
AlogP 4.89
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 64.33
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 7.308

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Rhinitis, Allergic, Perennial 3 D012221 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEBI 31777
ChEMBL CHEMBL1237102
EPA CompTox DTXSID9045508
FDA SRS 124XMA6YEI
SureChEMBL SCHEMBL99969
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