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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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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

Carpronium Chloride

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 Formula	C₈H₁₈ClNO₂
Molecular Weight	195.69 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	195.1026065 g/mol
Monoisotopic Mass	195.1026065 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	127
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