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Chemistry

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Also known as: 84-04-8, 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide, Mornidine, Nausidol, Nometine, Pipamazine (inn)

Molecular Formula

C₂₁H₂₄ClN₃OS

Molecular Weight

402.0 g/mol

InChI Key

OSJJYEUEJRVVOD-UHFFFAOYSA-N

FDA UNII

653552FH1N

1 2D Structure

Pipamazine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide

2.1.2 InChI

InChI=1S/C21H24ClN3OS/c22-16-6-7-20-18(14-16)25(17-4-1-2-5-19(17)27-20)11-3-10-24-12-8-15(9-13-24)21(23)26/h1-2,4-7,14-15H,3,8-13H2,(H2,23,26)

2.1.3 InChI Key

OSJJYEUEJRVVOD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCC1C(=O)N)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

2.2 Other Identifiers

2.2.1 UNII

653552FH1N

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 84-04-8

2. 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide

3. Mornidine

4. Nausidol

5. Nometine

6. Pipamazine (inn)

7. 653552fh1n

8. 10-(3-(4-carbamoylpiperidino)propyl)-2-chlorophenothiazine

9. Mometine

10. Pipamazine [inn]

11. Pipamazina

12. Pipamazinum

13. Pipamazine [inn:ban]

14. Pipamazinum [inn-latin]

15. Pipamazina [inn-spanish]

16. Einecs 201-512-9

17. Sc 8016

18. Sc 9387

19. Unii-653552fh1n

20. 1-(3-(3-chlorophenothiazin-10-yl)propyl)-isonipecotamide

21. Pipamazine [mi]

22. Pipamazine [who-dd]

23. Schembl49665

24. Chembl1909072

25. Dtxsid3023477

26. Chebi:135641

27. Isonipecotamide, 1-(3-(2-chlorophenothiazin-10-yl)propyl)-

28. Zinc538183

29. Akos000282635

30. Rp-9153

31. D02606

32. Q7197195

33. 1-[3-(2-chloro-10h-phenothiazin-10-yl)propyl]piperidine-4-carboxamide

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₄ClN₃OS
Molecular Weight	402.0 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	401.1328613 g/mol
Monoisotopic Mass	401.1328613 g/mol
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	514
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