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Chemistry

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Also known as: 79416-27-6, Methyl 5-amino-4-oxopentanoate hydrochloride, 5-aminolevulinic acid methyl ester hydrochloride, Metvixia, Methyl aminolevulinate hcl, Methyl 5-aminolevulinate hydrochloride

Molecular Formula

C₆H₁₂ClNO₃

Molecular Weight

181.62 g/mol

InChI Key

UJYSYPVQHFNBML-UHFFFAOYSA-N

FDA UNII

7S73606O1A

1 2D Structure

Delta-Aminolevulinic Acid Methyl Ester

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 5-amino-4-oxopentanoate;hydrochloride

2.1.2 InChI

InChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H

2.1.3 InChI Key

UJYSYPVQHFNBML-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

7S73606O1A

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 79416-27-6

2. Methyl 5-amino-4-oxopentanoate Hydrochloride

3. 5-aminolevulinic Acid Methyl Ester Hydrochloride

4. Metvixia

5. Methyl Aminolevulinate Hcl

6. Methyl 5-aminolevulinate Hydrochloride

7. Methyl Aminolevulinate (hydrochloride)

8. Mfcd00012868

9. P-1202

10. Pentanoic Acid, 5-amino-4-oxo-, Methyl Ester, Hydrochloride

11. 79416-27-6 (hcl Salt)

12. 5-aminolevulinic Acid Methyl Ester, Hcl

13. Methyl Aminolevulinate Hydrochloride [usan]

14. Mls000028575

15. Methyl 5-amino-4-oxo-pentanoate Hydrochloride

16. 7s73606o1a

17. Smr000058997

18. Metvix Pdt

19. Chebi:60641

20. Methyl Aminolevulinate Hydrochloride (usan)

21. Ncgc00018251-03

22. Unii-7s73606o1a

23. Metvixia (tn)

24. Einecs 279-151-1

25. 3-aminoacetylpropionic Acid Methyl Ester Hydrochloride

26. Opera_id_978

27. P 1212

28. Dsstox_cid_25630

29. Dsstox_rid_81012

30. Dsstox_gsid_45630

31. Schembl1177591

32. Chembl1201093

33. Dtxsid4045630

34. Hy-a0169a

35. Bcp08124

36. Tox21_110849

37. S5372

38. Methyl O-aminolevulinate Hydrochloride

39. Akos015845944

40. Ac-5302

41. Ccg-266438

42. Cs-w009212

43. Methyl Aminolevulinate Hcl [inci]

44. Methylaminolevulinate Hydrochloride

45. As-20128

46. Sy023721

47. Cas-79416-27-6

48. Db-056363

49. Ls-187769

50. Methyl 5-amino-4-oxopentanoate Hcl

51. Ft-0620022

52. Methyl 5-amino-4-oxopentanoate;hydrochloride

53. Methyl-5-aminolevulinate Hydrochloride

54. Aminolevulinic Acid Methyl Ester Hydrochloride

55. A-6150

56. D04988

57. Methyl Aminolevulinate Hydrochloride [mi]

58. 416a276

59. Delta-aminolevulinic Acid Methyl Ester Hydrochloride

60. Methyl Aminolevulinate Hydrochloride [mart.]

61. Methyl Aminolevulinate Hydrochloride [who-dd]

62. 5-amino-4-oxopentanoic Acid Methyl Ester Hydrochloride

63. 5-amino-4-oxovaleric Acid Methyl Ester Hydrochloride

64. Q27128288

65. Methyl Aminolevulinate Hydrochloride [orange Book]

66. Methyl Delta-aminolevulinate Hydrochloride, >=98% (tlc)

67. 5-amino-4-oxo-pentanoic Acid Methyl Ester Hydrochloride Salt

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₂ClNO₃
Molecular Weight	181.62 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	181.0505709 g/mol
Monoisotopic Mass	181.0505709 g/mol
Topological Polar Surface Area	69.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	133
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