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Technical details about Levocloperastine Fendizoate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. 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

2D Structure

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 Weight 648.2 g/mol
Molecular Formula C40H38ClNO5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass647.2438510 g/mol
Monoisotopic Mass647.2438510 g/mol
Topological Polar Surface Area87.1 Ų
Heavy Atom Count47
Formal Charge0
Complexity772
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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