Levocloperastine Fendizoate

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Also known as: 220329-19-1, Privituss, (s)-cloperastine fendizoate, 09837k287s, 1-[2-[(s)-(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine;2-(4-hydroxy-3-phenylbenzoyl)benzoic acid, Benzoic acid, 2-((6-hydroxy(1,1'-biphenyl)-3-yl)carbonyl)-, compd. with (-)-1-(2-((4-chlorophenyl)phenylmethoxy)ethyl)piperidine (1:1)

Molecular Formula

C₄₀H₃₈ClNO₅

Molecular Weight

648.2 g/mol

InChI Key

PXZFKAKWSHBDCP-BDQAORGHSA-N

FDA UNII

09837K287S

1 2D Structure

Levocloperastine Fendizoate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[2-[(S)-(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine;2-(4-hydroxy-3-phenylbenzoyl)benzoic acid

2.1.2 InChI

InChI=1S/C20H24ClNO.C20H14O4/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;21-18-11-10-14(12-17(18)13-6-2-1-3-7-13)19(22)15-8-4-5-9-16(15)20(23)24/h1,3-4,7-12,20H,2,5-6,13-16H2;1-12,21H,(H,23,24)/t20-;/m0./s1

2.1.3 InChI Key

PXZFKAKWSHBDCP-BDQAORGHSA-N

2.1.4 Canonical SMILES

C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)O)O

2.1.5 Isomeric SMILES

C1CCN(CC1)CCO[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

09837K287S

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 220329-19-1

2. Privituss

3. (s)-cloperastine Fendizoate

4. 09837k287s

5. 1-[2-[(s)-(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine;2-(4-hydroxy-3-phenylbenzoyl)benzoic Acid

6. Benzoic Acid, 2-((6-hydroxy(1,1'-biphenyl)-3-yl)carbonyl)-, Compd. With (-)-1-(2-((4-chlorophenyl)phenylmethoxy)ethyl)piperidine (1:1)

7. Benzoic Acid, 2-((6-hydroxy(1,1'-biphenyl)-3-yl)carbonyl)-, Compd. With 1-(2-((s)-(4-chlorophenyl)phenylmethoxy)ethyl)piperidine (1:1)

8. Piperidine, 1-(2-((4-chlorophenyl)phenylmethoxy)ethyl)-, (-)-, 2-((6-hydroxy(1,1'-biphenyl)-3-yl)carbonyl)benzoate

9. Unii-09837k287s

10. Levocloperastine Fendizoate [who-dd]

11. Q27236467

2.4 Create Date

2015-03-18

3 Chemical and Physical Properties

Molecular Formula	C₄₀H₃₈ClNO₅
Molecular Weight	648.2 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	647.2438510 g/mol
Monoisotopic Mass	647.2438510 g/mol
Topological Polar Surface Area	87.1 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	772
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	2