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Chemistry

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Also known as: Centhaquin, 57961-90-7, Compound-7173, Pmz-2010, Centhaquine [usan], Centhaquine;pmz-2010

Molecular Formula

C₂₂H₂₅N₃

Molecular Weight

331.5 g/mol

InChI Key

UJNWGFBJUHIJKK-UHFFFAOYSA-N

FDA UNII

QD4VI0J9T5

Centhaquine is under investigation in clinical trial NCT04045327 (Efficacy of PMZ-2010 (Centhaquine) a Resuscitative Agent for Hypovolemic Shock).

1 2D Structure

Centhaquine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]quinoline

2.1.2 InChI

InChI=1S/C22H25N3/c1-18-5-4-7-21(17-18)25-15-13-24(14-16-25)12-11-20-10-9-19-6-2-3-8-22(19)23-20/h2-10,17H,11-16H2,1H3

2.1.3 InChI Key

UJNWGFBJUHIJKK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCC3=NC4=CC=CC=C4C=C3

2.2 Other Identifiers

2.2.1 UNII

QD4VI0J9T5

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(bis(2-quinolyl)ethyl)-4-m-tolylpiperazine

2. Centhaquin

2.3.2 Depositor-Supplied Synonyms

1. Centhaquin

2. 57961-90-7

3. Compound-7173

4. Pmz-2010

5. Centhaquine [usan]

6. Centhaquine;pmz-2010

7. Qd4vi0j9t5

8. 2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]quinoline

9. Pmz2010

10. 2-(2-(4-(m-tolyl)piperazin-1-yl)ethyl)quinoline

11. Quinoline, 2-(2-(4-(3-methylphenyl)-1-piperazinyl)ethyl)-

12. Compound 7173

13. Brn 0563681

14. 2-(2-(4-(3-methylphenyl)piperazin-1-yl)ethyl)quinoline

15. 1-(beta(2-quinolyl)ethyl)-4-m-tolylpiperazine

16. 2-(2-(4-(3-methylphenyl)-1-piperazinyl)ethyl)quinoline

17. Centhaquine [inn]

18. Unii-qd4vi0j9t5

19. Zinc1105

20. Chembl4594437

21. Schembl10029638

22. Dtxsid40206680

23. Bcp31600

24. Centhaquin (centhaquine,pmz-2010)

25. Who 11138

26. Sb18795

27. Ac-35784

28. Hy-106690

29. Cs-0026357

30. 1-(bis(2-quinolyl)ethyl)-4-m-tolylpiperazine

31. 2-(2-(4-m-tolylpiperazin-1-yl)ethyl)quinoline

32. Pmz-2010; Pmz2010; Pmz 2010; Compound 7173

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₅N₃
Molecular Weight	331.5 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	331.204847810 g/mol
Monoisotopic Mass	331.204847810 g/mol
Topological Polar Surface Area	19.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	404
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1