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Naluzotan

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Chemistry

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Also known as: 740873-06-7, Prx-00023, Naluzotan (free base), Lq54e5b4ew, Chembl209821, Unii-lq54e5b4ew

Molecular Formula

C₂₃H₃₈N₄O₃S

Molecular Weight

450.6 g/mol

InChI Key

SPWZXWDPAWDKQE-UHFFFAOYSA-N

FDA UNII

LQ54E5B4EW

1 2D Structure

Naluzotan

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[3-[4-[4-(cyclohexylmethylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide

2.1.2 InChI

InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)

2.1.3 InChI Key

SPWZXWDPAWDKQE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)NC1=CC(=CC=C1)N2CCN(CC2)CCCCNS(=O)(=O)CC3CCCCC3

2.2 Other Identifiers

2.2.1 UNII

LQ54E5B4EW

2.3 Synonyms

2.3.1 MeSH Synonyms

1. N-(3-(4-(4-cyclohexylmethanesulfonylaminobutyl)piperazin-1-yl)phenyl)acetamide

2. Prx 00023

3. Prx-00023

4. Prx00023

2.3.2 Depositor-Supplied Synonyms

1. 740873-06-7

2. Prx-00023

3. Naluzotan (free Base)

4. Lq54e5b4ew

5. Chembl209821

6. Unii-lq54e5b4ew

7. Acetamide, N-(3-(4-(4-(((cyclohexylmethyl)sulfonyl)amino)butyl)-1-piperazinyl)phenyl)-

8. N-(3-(4-(4-(((cyclohexylmethyl)sulfonyl)amino)butyl)piperazin-1-yl)phenyl)acetamide

9. N-(3-(4-(4-((cyclohexylmethyl)sulfonamido)butyl)piperazin-1-yl)phenyl)acetamide

10. Naluzotan [usan]

11. Naluzotan [usan:inn]

12. N-(3-(4-(4-cyclohexylmethanesulfonylaminobutyl)piperazin-1-yl)phenyl)acetamide

13. N-(3-[4-(4-cyclohexylmethanesulfonylaminobutyl)piperazin-1-yl]phenyl)acetamide

14. N-[3-[4-[4-(cyclohexylmethylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide

15. Prx 00023

16. Naluzotan [inn]

17. Naluzotan (usan/inn)

18. Schembl678016

19. Dtxsid40995527

20. Bcp20177

21. Prx00023

22. Zinc3963096

23. Bdbm50187377

24. Cs-6740

25. Db05562

26. Sb16847

27. Hy-14848

28. Db-115004

29. D09358

30. 833c676

31. L001689

32. Q6961039

33. N-(3-(4-(4-(cyclohexylmethylsulfonamido)butyl)piperazin-1-yl)phenyl)acetamide

34. N-[3-[4-[4-[(cyclohexylmethylsulfonyl)amino]butyl]piperazin-1-yl]phenyl]acetamide

35. N-{3-[4-(4-cyclohexylmethanesulfonylamino-butyl)-piperazin-1-yl]-phenyl}-acetamide

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₃₈N₄O₃S
Molecular Weight	450.6 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	450.26646226 g/mol
Monoisotopic Mass	450.26646226 g/mol
Topological Polar Surface Area	90.1 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	638
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

4 Drug and Medication Information

4.1 Drug Indication

Investigated for use/treatment in anxiety disorders and depression.

5 Pharmacology and Biochemistry

5.1 MeSH Pharmacological Classification

Serotonin 5-HT1 Receptor Agonists

Endogenous compounds and drugs that specifically stimulate SEROTONIN 5-HT1 RECEPTORS. Included under this heading are agonists for one or more of the specific 5-HT1 receptor subtypes. (See all compounds classified as Serotonin 5-HT1 Receptor Agonists.)

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