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2D Structure
Also known as: 13254-33-6, Actinamin, Furozin, 4-methoxy-n,n,n-trimethyl-4-oxobutan-1-aminium chloride, Carpronii chloridum, Cloruro de carpronio
Molecular Formula
C8H18ClNO2
Molecular Weight
195.69  g/mol
InChI Key
RZMKWKZIJJNSLQ-UHFFFAOYSA-M
FDA UNII
1R01BKB74A

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4-methoxy-4-oxobutyl)-trimethylazanium;chloride
2.1.2 InChI
InChI=1S/C8H18NO2.ClH/c1-9(2,3)7-5-6-8(10)11-4;/h5-7H2,1-4H3;1H/q+1;/p-1
2.1.3 InChI Key
RZMKWKZIJJNSLQ-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C[N+](C)(C)CCCC(=O)OC.[Cl-]
2.2 Other Identifiers
2.2.1 UNII
1R01BKB74A
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Carpronium

2. Carpronium Chloride, Monohydrate

3. Carpronium Iodide

4. Furozin

5. Methyl N-trimethyl-gamma-aminobutyrate Chloride

2.3.2 Depositor-Supplied Synonyms

1. 13254-33-6

2. Actinamin

3. Furozin

4. 4-methoxy-n,n,n-trimethyl-4-oxobutan-1-aminium Chloride

5. Carpronii Chloridum

6. Cloruro De Carpronio

7. Chlorure De Carpronium

8. (4-methoxy-4-oxobutyl)-trimethylazanium;chloride

9. 1r01bkb74a

10. (3-carboxypropyl)trimethylammonium Chloride, Methyl Ester

11. 1-butanaminium, 4-methoxy-n,n,n-trimethyl-4-oxo-, Chloride (1:1)

12. Carpronium Chloride [inn:jan]

13. Carpronii Chloridum [inn-latin]

14. Ncgc00181355-01

15. Cloruro De Carpronio [inn-spanish]

16. Einecs 236-243-6

17. Chlorure De Carpronium [inn-french]

18. Unii-1r01bkb74a

19. Arovics

20. Carpronium Chlorid

21. Methyl N-trimethyl-gamma-aminobutyrate Chloride

22. Actinamin (tn)

23. Ammonium, (3-carboxypropyl)trimethyl-, Chloride, Methyl Ester

24. Furozin (tn)

25. 1-butanaminium, 4-methoxy-n,n,n,-trimethyl-4-oxo-, Chloride

26. Dsstox_cid_26924

27. Dsstox_rid_82020

28. (4-methoxy-4-oxobutyl)-trimethylazanium Chloride

29. Dsstox_gsid_46924

30. Schembl36814

31. Carpronium Chloride (jan/inn)

32. Carpronium Chloride [mi]

33. Chembl2105982

34. Dtxsid1046924

35. Chebi:31362

36. Carpronium Chloride [inn]

37. Carpronium Chloride [jan]

38. Carpronium Chloride [inci]

39. Tox21_112813

40. Carpronium Chloride [who-dd]

41. Akos006272015

42. Cas-13254-33-6

43. Ft-0623497

44. (4-methoxy-4-oxobutyl)trimethylazanium Chloride

45. D01175

46. A806454

47. Q5045940

48. [4-(4-fluoro-phenyl)-piperazin-1-yl]-furan-2-yl-aceticacid

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 195.69 g/mol
Molecular Formula C8H18ClNO2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass195.1026065 g/mol
Monoisotopic Mass195.1026065 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity127
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2