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Also known as: 58258-01-8, 4-(benzhydryloxy)piperidine, 4-benzhydryloxypiperidine, 4-benzhydryloxy-piperidine, Desalkylebastine, Desalkyl ebastine
Molecular Formula
C18H21NO
Molecular Weight
267.4  g/mol
InChI Key
OQAOREVBRZVXDS-UHFFFAOYSA-N
FDA UNII
Z2QV6QD5VV

CAS 58258-01-8
1 2D Structure

CAS 58258-01-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-benzhydryloxypiperidine
2.1.2 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
2.1.3 InChI Key
OQAOREVBRZVXDS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CNCCC1OC(C2=CC=CC=C2)C3=CC=CC=C3
2.2 Other Identifiers
2.2.1 UNII
Z2QV6QD5VV
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 58258-01-8

2. 4-(benzhydryloxy)piperidine

3. 4-benzhydryloxypiperidine

4. 4-benzhydryloxy-piperidine

5. Desalkylebastine

6. Desalkyl Ebastine

7. Piperidine, 4-(diphenylmethoxy)-

8. Z2qv6qd5vv

9. 4-(4-benzhydryloxy)piperidine

10. 4-(diphenylmethoxy)-piperidine

11. Desalkyl Ebastine-[d5]

12. Unii-z2qv6qd5vv

13. 4-diphenylmethoxypiperidine

14. 4-diphenylmethoxy-piperidine

15. Schembl1802062

16. Dtxsid00388512

17. Mfcd06659472

18. Zinc22056059

19. Akos015910915

20. Sb37794

21. Db-053175

22. Cs-0342012

23. Ft-0640517

24. C16027

25. A831806

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 267.4 g/mol
Molecular Formula C18H21NO
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass267.162314293 g/mol
Monoisotopic Mass267.162314293 g/mol
Topological Polar Surface Area21.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity245
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Metabolism/Metabolites

4-(4-tert-butylphenyl)-4-oxobutanal is a known human metabolite of ebastine.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560


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