HEXAMINOLEVULINATE HYDROCHLORIDE

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Also known as: 140898-91-5, Hexyl 5-amino-4-oxopentanoate hydrochloride, 5-aminolevulinic acid hexyl ester hydrochloride, Hexaminolevulinate hcl, Cysview, Hexaminolevulinate (hydrochloride)

Molecular Formula

C₁₁H₂₂ClNO₃

Molecular Weight

251.75 g/mol

InChI Key

LZYXPFZBAZTOCH-UHFFFAOYSA-N

FDA UNII

D4F329SL1O

Hexaminolevulinate Hydrochloride is the hydrochloride salt form of hexaminolevulinate, a hexyl ester of the heme precursor 5-aminolevulinic acid (ALA) with potential photosensitizing activity. Hexaminolevulinate serves as a precursor of photoactive porphyrins (PAPs), particularly protoporphyrin IX (PpIX), which selectively accumulate in rapidly proliferating cells, such as those seen in tumor tissue. When exposed to blue light, PAPs are activated and emit red light thereby allowing tumor imaging.

1 2D Structure

HEXAMINOLEVULINATE HYDROCHLORIDE

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

hexyl 5-amino-4-oxopentanoate;hydrochloride

2.1.2 InChI

InChI=1S/C11H21NO3.ClH/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12;/h2-9,12H2,1H3;1H

2.1.3 InChI Key

LZYXPFZBAZTOCH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCOC(=O)CCC(=O)CN.Cl

2.2 Other Identifiers

2.2.1 UNII

D4F329SL1O

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (14c)-hexaminolevulinate

2. 5-alahe

3. 5-aminolevulinic Acid Hexyl Ester

4. Ala Hexyl Ester

5. Aminolevulinic Acid Hexylester

6. Hexa Ala

7. Hexaminolevulinate

8. Hexyl-aminolevulinate

9. Hexylaminolevulinate

2.3.2 Depositor-Supplied Synonyms

1. 140898-91-5

2. Hexyl 5-amino-4-oxopentanoate Hydrochloride

3. 5-aminolevulinic Acid Hexyl Ester Hydrochloride

4. Hexaminolevulinate Hcl

5. Cysview

6. Hexaminolevulinate (hydrochloride)

7. P-1206

8. Hexvix

9. Hexaminolevulinate Hydrochloride [usan]

10. D4f329sl1o

11. Hexyl Aminolevulinate Hcl

12. Pentanoic Acid, 5-amino-4-oxo-, Hexyl Ester, Hydrochloride

13. P-1026

14. Hexyl 5-aminolevulinate Hydrochloride

15. Hexyl 5-amino-4-oxopentanoate Hydrochloride.

16. Hexvisr

17. Hexaminolevulinate Hydrochloride (usan)

18. Hexyl 5-aminolevulinate Hydrochloride;p-1206;5-aminolevulinic Acid Hexyl Ester Hydrochloride

19. Unii-d4f329sl1o

20. Cysview Kit

21. Cysview (tn)

22. N-hexyl 5-aminolevulinate Hydrochloride

23. Hexyl 5-amino-4-oxopentanoate,hydrochloride

24. P 1206

25. Schembl937621

26. 5-amino-4-oxopentanoic Acid Hexyl Ester Hydrochloride

27. Chembl1201785

28. Dtxsid80161486

29. Mfcd03695491

30. Hexaminolevulinate Hcl [vandf]

31. Am84373

32. Cs-5206

33. Hexyl Aminolevulinate Hcl [inci]

34. Bs-30849

35. Hy-16045

36. Db-063352

37. Hexyl 5-amino-4-oxopentanoate;hydrochloride

38. Ft-0767765

39. Hexaminolevulinate Hydrochloride [mi]

40. A-6140

41. A15966

42. D04436

43. D81726

44. Hexaminolevulinate Hydrochloride [mart.]

45. 5-aminolevulinicacidhexylesterhydrochloride

46. Hexaminolevulinate Hydrochloride [who-dd]

47. Hexaminolevulinate Hydrochloride, >=98% (hplc)

48. 898a915

49. Hexaminolevulinate Hydrochloride [orange Book]

50. Q27276092

51. Pentanoic Acid, 5-amino-4-oxo, Hexyl Ester, Hydrochloride

52. 5-aminolevulinic Acid Hexyl Ester Hydrochloridehexyl 5-aminolevulinate Hydrochloride

2.4 Create Date

2006-04-28

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₂₂ClNO₃
Molecular Weight	251.75 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	251.1288213 g/mol
Monoisotopic Mass	251.1288213 g/mol
Topological Polar Surface Area	69.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	192
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