4-(Benzhydryloxy)piperidine - CAS 58258-01-8
Catalog: |
BB029990 |
Product Name: |
4-(Benzhydryloxy)piperidine |
CAS: |
58258-01-8 |
Synonyms: |
4-(diphenylmethyl)oxypiperidine; 4-benzhydryloxypiperidine |
IUPAC Name: | 4-benzhydryloxypiperidine |
Description: | A metabolite of Ebastine. |
Molecular Weight: | 267.37 |
Molecular Formula: | C18H21NO |
Canonical SMILES: | C1CNCCC1OC(C2=CC=CC=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C18H21NO/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)20-17-11-13-19-14-12-17/h1-10,17-19H,11-14H2 |
InChI Key: | OQAOREVBRZVXDS-UHFFFAOYSA-N |
Boiling Point: | 383.5 °C at 760 mmHg |
Density: | 1.09 g/cm3 |
MDL: | MFCD06659472 |
LogP: | 3.87340 |
Publication Number | Title | Priority Date |
CN-112574097-A | Preparation method of Ebastine and fumarate thereof | 20201221 |
CN-110988215-A | Method for detecting related substances in ebastine | 20191231 |
CN-109593058-B | Preparation method of ebastine | 20190123 |
DE-202011000756-U1 | Ebastins, non-micronised ebastine particles and pharmaceutical compositions comprising ebastines | 20110331 |
WO-2012076919-A1 | Process of preparing ebastine | 20101211 |
PMID | Publication Date | Title | Journal |
21410688 | 20110801 | Myocardial pharmacokinetics of ebastine, a substrate for cytochrome P450 2J, in rat isolated heart | British journal of pharmacology |
16896065 | 20061101 | Characterization of ebastine, hydroxyebastine, and carebastine metabolism by human liver microsomes and expressed cytochrome P450 enzymes: major roles for CYP2J2 and CYP3A | Drug metabolism and disposition: the biological fate of chemicals |
16842392 | 20060801 | The effect of CYP2J2, CYP3A4, CYP3A5 and the MDR1 polymorphisms and gender on the urinary excretion of the metabolites of the H-receptor antihistamine ebastine: a pilot study | British journal of clinical pharmacology |
15556518 | 20041225 | Simultaneous determination of ebastine and its three metabolites in plasma using liquid chromatography-tandem mass spectrometry | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.162314293 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.162314293 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 21.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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