Molecular Identity
Levocabastine
(3S,4R)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid
PubChem CID: 54385
Levocabastine is a member of piperidines.
2D Structure
Properties
C26H29FN2O2
Molecular Formula
420.50
Molecular Weight
g/mol
420.2213
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
64.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
681
Complexity
SMILES
Canonical SMILES
SMILES: CC1CN(CCC1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)FIsomeric SMILES
SMILES: C[C@@H]1CN(CC[C@@]1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)FSynonyms(20)
levocabastine79516-68-0Levocabastinum [Latin]Levocabastina [Spanish]LevocabastinaCabastineCabastine [INN]79449-98-2(3S,4R)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acidLevocabastine (INN)105452-51-5COU3RRH769H68BP06S81LevocabastinLevocabastinum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Levocabastine
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