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CAS 300543-56-0 manufacturers and suppliers on PharmaCompass

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CAS 300543-56-0
Also known as: 300543-56-0, (r)-1-[(4-chlorophenyl)phenylmethyl]piperazine, Norchlorcyclizine, (-)-, Piperazine, 1-[(r)-(4-chlorophenyl)phenylmethyl]-, (r)-(-)-1-[(4-chlorophenyl)phenylmethyl]piperazine, (r)-1-(p-chlorobenzhydryl)piperazine
Molecular Formula
C17H19ClN2
Molecular Weight
286.8  g/mol
InChI Key
UZKBSZSTDQSMDR-QGZVFWFLSA-N
FDA UNII
890A9G29PG

1 2D Structure

CAS 300543-56-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine
2.1.2 InChI
InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2/t17-/m1/s1
2.1.3 InChI Key
UZKBSZSTDQSMDR-QGZVFWFLSA-N
2.1.4 Canonical SMILES
C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
2.1.5 Isomeric SMILES
C1CN(CCN1)[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl
2.2 Other Identifiers
2.2.1 UNII
890A9G29PG
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 300543-56-0

2. (r)-1-[(4-chlorophenyl)phenylmethyl]piperazine

3. Norchlorcyclizine, (-)-

4. Piperazine, 1-[(r)-(4-chlorophenyl)phenylmethyl]-

5. (r)-(-)-1-[(4-chlorophenyl)phenylmethyl]piperazine

6. (r)-1-(p-chlorobenzhydryl)piperazine

7. 1-[(r)-(4-chlorophenyl)-phenylmethyl]piperazine

8. 890a9g29pg

9. 1-[(r)-(4-chlorophenyl)(phenyl)methyl]piperazine

10. Piperazine, 1-((r)-(4-chlorophenyl)phenylmethyl)-

11. (-)-1-[(4-chlorophenyl)phenylmethyl]piperazine

12. (-)-1-((4-chlorophenyl)phenylmethyl)piperazine

13. (r)-1-((4-chlorophenyl)phenylmethyl)piperazine

14. Unii-890a9g29pg

15. (-)-norchlorcyclizine

16. 1-[(r)-(4-chlorophenyl)phenylmethyl]-piperazine

17. Schembl588655

18. Chembl3771137

19. Mfcd11519277

20. Zinc19363630

21. Akos015900420

22. Akos016016508

23. Ac-26786

24. Ds-16464

25. (r)-n-(4-chlorobenzyl Hydryl) Piperazine

26. Chlorobenzhydryl Piperazine [usp-rs]

27. Db-068198

28. A5547

29. Cs-0156606

30. Cs-0200360

31. [(1r)(4-chlorophenyl)phenylmethyl]piperazine

32. J3.610.329i

33. 1-[(r)-(4-chlorophenyl)phenylmethyl]piperazine

34. 543c560

35. J-017749

36. Q27269970

37. 1-[(r)-(4-chlorophenyl)phenylmethyl]piperazine,

38. (r)-1-((4-chlorophenyl)(phenyl)methyl)piperazine (cetirizine Impurity)

2.4 Create Date
2005-07-07
3 Chemical and Physical Properties
Molecular Weight 286.8 g/mol
Molecular Formula C17H19ClN2
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass286.1236763 g/mol
Monoisotopic Mass286.1236763 g/mol
Topological Polar Surface Area15.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity277
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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