Bepotastine
4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid
Molecular Identity
Bepotastine
4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid
PubChem CID: 164522
Bepotastine is an ether that is (S)-(4-chlorophenyl)(pyridin-2-yl)methanol in which the hydroxyl hydrogen is substituted by a 1-(3-carboxypropyl)piperidin-4-yl group. A topical, selective and non-sedating histamine (H1) receptor antagonist used (as its benzenesulfonate salt) for treatment of itching associated with allergic conjunctivitis. It has a role as a H1-receptor antagonist and an anti-allergic agent. It is a monocarboxylic acid, an ether, a member of piperidines, a member of pyridines and a member of monochlorobenzenes. It is a conjugate base of a bepotastine(1+).
2D Structure
Properties
C21H25ClN2O3
Molecular Formula
388.90
Molecular Weight
g/mol
388.1554
Exact Mass
Da
1
XLogP
Drug-like (Lipinski: < 5)
62.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
449
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Bepotastine125602-71-3BetotastinebepotastinaTau 284bepotastinumHYD2U48IAS4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acidCHEBI:71204DTXSID90904947(S)-4-(4-((4-Chlorophenyl)(2-pyridil)methoxy)piperidino)butylic acid(+)-4-(((S)-p-Chloro-alpha-2-pyridylbenzyl)oxy)-1-piperidinebutyric acidTAU-2841-Piperidinebutanoic acid, 4-((4-chlorophenyl)-2-pyridinylmethoxy)-4-(4-((S)-(4-chlorophenyl)-pyridin-2-ylmethoxy)piperidin-1-yl)butanoic acid
Data from PubChem (NCBI)
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