LEVOCABASTINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 124XMA6YEI
EPA CompTox DTXSID9045508
Parent Compound: LEVOCABASTINE

Structure

InChI Key OICFWWJHIMKBCD-VALQNVSPSA-N
Smiles 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

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST DailyMed

Target Conservation

Protein: Histamine H1 receptor
Description: Histamine H1 receptor
Organism : Homo sapiens
P35367 ENSG00000196639

Cross References

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