Pyridoxamine dihydrochloride

Synopsis, Chemistry

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Also known as: 524-36-7, 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol dihydrochloride, Pyridoxamine 2hcl, Pyridorin, Pyridoxylamine dihydrochloride, Pyridoxamine dichlorohydrate

Molecular Formula

C₈H₁₄Cl₂N₂O₂

Molecular Weight

241.11 g/mol

InChI Key

HNWCOANXZNKMLR-UHFFFAOYSA-N

FDA UNII

YQ8NCR7V0O

1 2D Structure

Pyridoxamine dihydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride

2.1.2 InChI

InChI=1S/C8H12N2O2.2ClH/c1-5-8(12)7(2-9)6(4-11)3-10-5;;/h3,11-12H,2,4,9H2,1H3;2*1H

2.1.3 InChI Key

HNWCOANXZNKMLR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC=C(C(=C1O)CN)CO.Cl.Cl

2.2 Other Identifiers

2.2.1 UNII

YQ8NCR7V0O

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Pyridorin

2.3.2 Depositor-Supplied Synonyms

1. 524-36-7

2. 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol Dihydrochloride

3. Pyridoxamine 2hcl

4. Pyridorin

5. Pyridoxylamine Dihydrochloride

6. Pyridoxamine Dichlorohydrate

7. Pyridoxamine Dihcl

8. Pyridoxylamine (dihydrochloride)

9. 4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol Dihydrochloride

10. Pyridoxaminedihydrochloride

11. Yq8ncr7v0o

12. 2-methyl-3-hydroxy-4-aminomethyl-5-hydroxymethylpyridene Dihydrochloride

13. Mfcd00012808

14. 524-36-7 (hcl)

15. Dsstox_cid_25088

16. Dsstox_rid_80662

17. Dsstox_gsid_45088

18. 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride

19. Cas-524-36-7

20. Nsc-21278

21. Einecs 208-357-6

22. Unii-yq8ncr7v0o

23. Nsc 21278

24. 3-pyridinemethanol, 4-(aminomethyl)-5-hydroxy-6-methyl-, Dihydrochloride

25. Schembl48103

26. Chembl2361504

27. Dtxsid6045088

28. Hy-b1745a

29. Chebi:131532

30. Bcp09064

31. Tox21_110020

32. 2-methyl-3-hydroxy-4-aminomethyl-5-hydroxymethylpyridine Dihydrochloride

33. 3-pyridinemethanol, 4-(aminomethyl)-5-hydroxy-6-methyl-,dihydrochloride

34. Akos015961644

35. Tox21_110020_1

36. Ncgc00013273-01

37. Ncgc00013273-03

38. Pyridoxamine Dihydrochloride [mi]

39. Ac-24503

40. As-11675

41. Pyridoxamine Hydrochloride [mart.]

42. Pyridoxamine-(methyl-[d3]) Dihydrochloride

43. Cs-0013765

44. Ft-0632287

45. K-163

46. P0560

47. P2688

48. Pyridoxamine Dihydrochloride [who-dd]

49. P-8200

50. Pyridoxamine Dihydrochloride, >=99.0% (tlc)

51. 524p367

52. Pyridoxamine Dihydrochloride, Cell Culture Reagent

53. Q27225159

54. Pyridoxamine Dihydrochloride 10 Microg/ml In Acetonitrile

55. Pyridoxamine Dihydrochloride, Analytical Standard, >=98%

56. 3-pyridinemethanol,4-(aminomethyl)-5-hydroxy-6-methyl-,2hcl

57. 4-aminomethyl-5-hydroxy-6-methyl-3-pyridinemethanol Dihydrochloride

58. Pyridoxamine Dihydrochloride, Bioreagent, Suitable For Cell Culture

59. 3-pyridinemethanol,4-(aminomethyl)-5-hydroxy-6-methyl-,dihydrochloride

60. 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol 2hcl

61. 4-(azaniumylmethyl)-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium Dichloride

2.4 Create Date

2005-07-28

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₄Cl₂N₂O₂
Molecular Weight	241.11 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	240.0432331 g/mol
Monoisotopic Mass	240.0432331 g/mol
Topological Polar Surface Area	79.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	143
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	3