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Also known as: 85187-37-7, Hustazol, Nitossil, Sekin, Cloperastine fendizoate [jan], Einecs 286-126-9

Molecular Formula

C₄₀H₃₈ClNO₅

Molecular Weight

648.2 g/mol

InChI Key

PXZFKAKWSHBDCP-UHFFFAOYSA-N

FDA UNII

2M105305SU

1 2D Structure

Cloperastine Fendizoate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[2-[(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)

2.1.3 InChI Key

PXZFKAKWSHBDCP-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

2M105305SU

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 85187-37-7

2. Hustazol

3. Nitossil

4. Sekin

5. Cloperastine Fendizoate [jan]

6. Einecs 286-126-9

7. Hustazol (tn)

8. Unii-2m105305su

9. 2m105305su

10. 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine;2-(4-hydroxy-3-phenylbenzoyl)benzoic Acid

11. Chebi:31419

12. Cloperastine Fendizoate [mart.]

13. Cloperastine Fendizoate [who-dd]

14. O-((2'-hydroxy(1,1'-biphenyl)-4-yl)carbonyl)benzoic Acid, Compoundwith 1-(2-(4-chlorobenzhydryloxy)ethyl)piperidine (1:1)

15. Cloperastine Fendizoate (jan)

16. Cloperastine Fendizoate (mart.)

17. 1-(2-((4-chlorophenyl)(phenyl)methoxy)ethyl)piperidine 2-(6-hydroxy-[1,1'-biphenyl]-3-carbonyl)benzoate

18. 1-[2-[(4-chlorophenyl)phenylmethoxy]ethyl]-hydroxy[1,1'-biphenyl]-3-yl)carbonyl]benzoate Piperidine

19. Cloperastinefendizoate

20. Cloperastine Fendizoate (jp18)

21. Dtxsid001005645

22. Hy-b2179

23. Mfcd01661515

24. Akos040740750

25. Cs-7697

26. Bs-44741

27. Da-51971

28. Sy317590

29. D01569

30. E74488

31. J-520104

32. Q27254909

33. 1-[2-[(4-chlorophenyl)(phenyl)methoxy]ethyl]piperidine 2-(6-hydroxybiphenyl-3-carbonyl)benzoate

34. 2-(6-hydroxy[1,1'-biphenyl]-3-carbonyl)benzoic Acid--1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidine (1/1)

2.4 Create Date

2005-06-24

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	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	87.1
Heavy Atom Count	47
Formal Charge	0
Complexity	772
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2