Molecular Identity
Ebastine
4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one
PubChem CID: 3191
Ebastine is an organic molecular entity.
2D Structure
Properties
C32H39NO2
Molecular Formula
469.70
Molecular Weight
g/mol
469.2981
Exact Mass
Da
7.2
XLogP
Above Lipinski threshold
29.5
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
594
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4Isomeric SMILES
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4Synonyms(20)
ebastine90729-43-4KestineEbastinaEbastinumRP 64305DTXSID6046472LAS-W-090TQD7Q784P1RP-64305DTXCID40264724-Diphenylmethoxy-1-(3-(4-tert-butylbenzoyl)propyl)piperidineRefChem:590526R06AX221-(4-(1,1-Dimethylethyl)phenyl)-4-(4-(diphenylmethoxy)piperidin-1-yl)butan-1-one
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ebastine
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