CAS 109806-71-5

Chemistry

Chemistry

Also known as: 109806-71-5, Cetirizine ethanol, Cetirizine impurity g, 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol, 2-[4-[(4-chlorophenyl)(phenyl)methyl]-1-piperazinyl]ethanol, Pgv947x9b1

Molecular Formula

C₁₉H₂₃ClN₂O

Molecular Weight

330.8 g/mol

InChI Key

ZJQSBXXYLQGZBR-UHFFFAOYSA-N

FDA UNII

PGV947X9B1

1 2D Structure

CAS 109806-71-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol

2.1.2 InChI

InChI=1S/C19H23ClN2O/c20-18-8-6-17(7-9-18)19(16-4-2-1-3-5-16)22-12-10-21(11-13-22)14-15-23/h1-9,19,23H,10-15H2

2.1.3 InChI Key

ZJQSBXXYLQGZBR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCN1CCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

2.2 Other Identifiers

2.2.1 UNII

PGV947X9B1

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 109806-71-5

2. Cetirizine Ethanol

3. Cetirizine Impurity G

4. 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol

5. 2-[4-[(4-chlorophenyl)(phenyl)methyl]-1-piperazinyl]ethanol

6. Pgv947x9b1

7. 2-[4-[(4-chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol

8. 1-piperazineethanol, 4-((4-chlorophenyl)phenylmethyl)-

9. 2-(4-((4-chlorophenyl)phenylmethyl)piperazin-1-yl)ethanol

10. (+/-)-2-(4-((4-chlorophenyl)phenylmethyl)piperazin-1-yl)ethan-1-ol

11. (rs)-2-(4-((4-chlorophenyl)phenylmethyl)piperazin-1-yl)ethan-1-ol

12. 4-(p-chloro-alpha-phenylbenzyl)-1-piperazineethanol

13. 2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethanol

14. Unii-pgv947x9b1

15. Cetirizine-m O-desalkyl

16. 2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethanol

17. Cetirizine Dihydrochloride Impurity G [ep]

18. Levocetirizine Impurity 6

19. 1-piperazineethanol, 4-(p-chloro-alpha-phenylbenzyl)-

20. Schembl1405261

21. Ucb-p026

22. Dtxsid501196065

23. 2-{4-[(4-chloro-phenyl)-phenyl-methyl]-piperazin-1-yl}-ethanol

24. Mfcd12870433

25. Akos015900402

26. Ac-5591

27. Sy045315

28. 4-(4-chlorobenzhydryl)piperazine-1-ethanol

29. Db-040880

30. Cs-0166216

31. Ft-0642682

32. Ft-0665540

33. H11410

34. 4-(p-chloro-

35. A-phenylbenzyl)-1-piperazineethanol

36. A802089

37. A1-50251

38. Q27286550

39. Cetirizine Dihydrochloride Impurity G [ep Impurity]

40. {2-[4-(alpha-phenyl-p-chlorobenzyl)piperazin-1-yl]}ethanol

41. 2-[4-[(4-chlorophenyl)-phenyl Methyl]-1-piperazinyl] Ethanol

42. 2-[4-[(4-chlorophenyl)-phenyl Methyl]-1-piperazinyl]ethanol

43. 1-piperazineethanol, 4-(p-chloro-.alpha.-phenylbenzyl)-

44. 2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethanol? (cetirizine Impurity

2.4 Create Date

2005-09-08

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₃ClN₂O
Molecular Weight	330.8 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	330.1498911 g/mol
Monoisotopic Mass	330.1498911 g/mol
Topological Polar Surface Area	26.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	332
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	1

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