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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 38821-52-2, Indoramin hcl, Baratol, N-(1-(2-(1h-indol-3-yl)ethyl)piperidin-4-yl)benzamide hydrochloride, Doralese, Wy-21,901 hcl

Molecular Formula

C₂₂H₂₆ClN₃O

Molecular Weight

383.9 g/mol

InChI Key

AFJSFHAKSSWOKG-UHFFFAOYSA-N

FDA UNII

DQ0Z3K8W92

1 2D Structure

Indoramin Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide;hydrochloride

2.1.2 InChI

InChI=1S/C22H25N3O.ClH/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21;/h1-9,16,19,23H,10-15H2,(H,24,26);1H

2.1.3 InChI Key

AFJSFHAKSSWOKG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCC1NC(=O)C2=CC=CC=C2)CCC3=CNC4=CC=CC=C43.Cl

2.2 Other Identifiers

2.2.1 UNII

DQ0Z3K8W92

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 38821-52-2

2. Indoramin Hcl

3. Baratol

4. N-(1-(2-(1h-indol-3-yl)ethyl)piperidin-4-yl)benzamide Hydrochloride

5. Doralese

6. Wy-21,901 Hcl

7. N-[1-[2-(1h-indol-3-yl)ethyl]piperidin-4-yl]benzamide;hydrochloride

8. Dq0z3k8w92

9. N-(1-(2-indol-3-ylethyl)-4-piperidyl)benzamide Monohydrochloride

10. Benzamide, N-(1-(2-(1h-indol-3-yl)ethyl)-4-piperidinyl)-, Monohydrochloride

11. Dsstox_cid_26504

12. Dsstox_rid_81673

13. Dsstox_gsid_46504

14. Indoramin Hydrochloride (usan)

15. Vidora

16. Wydora

17. Baratol (pharmaceutical)

18. Indoramin Hydrochloride [usan]

19. Cas-38821-52-2

20. Ncgc00165810-01

21. Indoramin Hydrochloride [usan:ban]

22. Einecs 254-136-2

23. Indoraminhydrochloride

24. Unii-dq0z3k8w92

25. Indoramine Hydrochloride

26. N-(1-(2-(1h-indol-3-yl)ethyl)-4-piperidinyl)benzamide Hydrochloride

27. Schembl123678

28. Chembl2104941

29. Dtxsid1046504

30. Indoramin Hydrochloride [mi]

31. Tox21_112265

32. Mfcd00242842

33. Akos016011220

34. N-[1-[2-(1h-indol-3-yl)ethyl]-4-piperidinyl] Benzamide Hydrochloride

35. Tox21_112265_1

36. Indoramin Hydrochloride [mart.]

37. Indoramin Hydrochloride [who-dd]

38. Ncgc00165810-02

39. D04532

40. Q27276533

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₆ClN₃O
Molecular Weight	383.9 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	383.1764402 g/mol
Monoisotopic Mass	383.1764402 g/mol
Topological Polar Surface Area	48.1 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	454
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	2