CAS 58258-01-8

Chemistry, 1 End Use API, 3 Related Intermediates

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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

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 Formula	C₁₈H₂₁NO
Molecular Weight	267.4 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	267.162314293 g/mol
Monoisotopic Mass	267.162314293 g/mol
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	245
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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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Tagoor Laboratories

Tagoor's product development expertise, backed by our comprehensive understanding of the processes, helps us offer high-quality APIs.

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4-Hydroxypiperidine

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CAS Number

5382-16-1

End Use API

Tagoor Laboratories, established in 2018, is a part of the Tagoor Group. It specializes in providing APIs...

Tagoor Laboratories, established in 2018, is a part of the Tagoor Group. It specializes in providing APIs, advanced intermediates and key starting materials for critical and high-growth therapeutic areas, with an emphasis on affordability, quality and timely delivery. It also provides end-to-end CDMO services. Headquartered in Hyderabad, Tagoor Labs is a fast-growing Indian pharma company that serves both branded and generic companies worldwide. The company’s organizational function includes R&D, supply chain, manufacturing, quality testing, quality assurance, regulatory affairs, marketing & sales, and packaging & warehousing departments.

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Vasudha Pharma Chem Limited

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4-Tert butyl-4-chlorobityrophenone

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CAS Number

43076-61-5

End Use API

Ebastine

About the Company

VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 i...

VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 in 1994-95 at Hyderabad in the state of Telangana, India. The company is engaged in the manufacturing of Active Pharmaceutical Ingredients (APIs), Pharma Intermediates for catering to the Global market. Initially, the focus was on the development of cost effective processes for several intermediates related to piperidone & piperidine derivatives. By 2003-04, the company gained world class expertise and became the largest manufacturer of piperidone & piperidine derivatives in the world.

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