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2D Structure
Also known as: Dl-carnitine hydrochloride, 461-05-2, 16224-32-1, D,l-carnitine hydrochloride, (r)-carnitine (hydrochloride), (s)-carnitine (hydrochloride)
Molecular Formula
C7H16ClNO3
Molecular Weight
197.66  g/mol
InChI Key
JXXCENBLGFBQJM-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-hydroxy-4-(trimethylazaniumyl)butanoate;hydrochloride
2.1.2 InChI
InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H
2.1.3 InChI Key
JXXCENBLGFBQJM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C[N+](C)(C)CC(CC(=O)[O-])O.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Dl-carnitine Hydrochloride

2. 461-05-2

3. 16224-32-1

4. D,l-carnitine Hydrochloride

5. (r)-carnitine (hydrochloride)

6. (s)-carnitine (hydrochloride)

7. 3-hydroxy-4-(trimethylammonio)butanoate Hydrochloride

8. D-carnitine Hydrochloride

9. Dsstox_cid_25850

10. Dsstox_rid_81172

11. Dsstox_gsid_45850

12. D-carnitine (hydrochloride)

13. L-carnitine (hydrochloride)

14. Cas-461-05-2

15. 1-propanaminium, 3-carboxy-2-hydroxy-n,n,n-trimethyl-, Chloride

16. L-carnitine Chloride

17. Ncgc00094816-01

18. 3-carboxy-2-hydroxy-n,n,n-trimethylpropan-1-aminium Chloride

19. L-carnitin 100 Microg/ml In Acetonitrile

20. D,l-carnitine-[d3] Chloride

21. Dtxsid8045850

22. Dl-carnitine Benzyl Ester Chloride

23. Tox21_111339

24. Ac8488

25. Akos015899583

26. Tox21_111339_1

27. Ccg-208519

28. Ncgc00263894-02

29. As-11627

30. Db-043518

31. C-1990

32. A826989

33. 3-hydroxy-4-(trimethylazaniumyl)butanoate;hydrochloride

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 197.66 g/mol
Molecular Formula C7H16ClNO3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass197.0818711 g/mol
Monoisotopic Mass197.0818711 g/mol
Topological Polar Surface Area60.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2