Levocloperastine

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Also known as: (s)-cloperastine, 132301-89-4, 1-[2-[(s)-(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine, 99v54164fc, Unii-99v54164fc, L-cloperastine

Molecular Formula

C₂₀H₂₄ClNO

Molecular Weight

329.9 g/mol

InChI Key

FLNXBVJLPJNOSI-FQEVSTJZSA-N

FDA UNII

99V54164FC

1 2D Structure

Levocloperastine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[2-[(S)-(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine

2.1.2 InChI

InChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2/t20-/m0/s1

2.1.3 InChI Key

FLNXBVJLPJNOSI-FQEVSTJZSA-N

2.1.4 Canonical SMILES

C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

2.1.5 Isomeric SMILES

C1CCN(CC1)CCO[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl

2.2 Other Identifiers

2.2.1 UNII

99V54164FC

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. (s)-cloperastine

2. 132301-89-4

3. 1-[2-[(s)-(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine

4. 99v54164fc

5. Unii-99v54164fc

6. L-cloperastine

7. Ncgc00016711-01

8. Cas-14984-68-0

9. Chembl1516068

10. Zinc57251

11. Levocloperastine [who-dd]

12. Q27272245

13. Piperidine, 1-(2-((s)-(4-chlorophenyl)phenylmethoxy)ethyl)-

2.4 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₄ClNO
Molecular Weight	329.9 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	329.1546421 g/mol
Monoisotopic Mass	329.1546421 g/mol
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	318
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1