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    Technical details about MolPort-001-794-138, learn more about the structure, uses, toxicity, action, side effects and more

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    MolPort-001-794-138

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    Also known as: 351-50-8, H-d-his-oh, (r)-2-amino-3-(1h-imidazol-4-yl)propanoic acid, D-his, (2r)-2-amino-3-(1h-imidazol-5-yl)propanoic acid, D-histamine
    Molecular Formula
    C6H9N3O2
    Molecular Weight
    155.15  g/mol
    InChI Key
    HNDVDQJCIGZPNO-RXMQYKEDSA-N
    FDA UNII
    4JE5HRM5CH
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
    2.1.2 InChI
    InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1
    2.1.3 InChI Key
    HNDVDQJCIGZPNO-RXMQYKEDSA-N
    2.1.4 Canonical SMILES
    C1=C(NC=N1)CC(C(=O)O)N
    2.1.5 Isomeric SMILES
    C1=C(NC=N1)C[C@H](C(=O)O)N
    2.2 Other Identifiers
    2.2.1 UNII
    4JE5HRM5CH
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 351-50-8

    2. H-d-his-oh

    3. (r)-2-amino-3-(1h-imidazol-4-yl)propanoic Acid

    4. D-his

    5. (2r)-2-amino-3-(1h-imidazol-5-yl)propanoic Acid

    6. D-histamine

    7. D-histidin

    8. (2r)-2-amino-3-(1h-imidazol-4-yl)propanoic Acid

    9. Chebi:27947

    10. (r)-2-amino-3-(4-imidazolyl)propionic Acid

    11. 4je5hrm5ch

    12. D-histidine Hydrochloride Monohydrate

    13. (r)-alpha-amino-1h-imidazole-4-propionic Acid

    14. (2r)-2-ammonio-3-(1h-imidazol-4-yl)propanoate

    15. D-histidine Hydrochloride

    16. Mfcd00065963

    17. D-histidine; D-his-oh

    18. Copper-histidine

    19. (r)-histidine

    20. Einecs 206-513-8

    21. 2ez7

    22. Histidine, D-

    23. Unii-4je5hrm5ch

    24. Schembl59365

    25. D-histidine (h-d-his-oh)

    26. Chembl104875

    27. Gtpl4679

    28. Niosh/ms3116000

    29. Dtxsid70889344

    30. Histidine, Monohydrochloride, D-

    31. D-histidine, >=98% (tlc)

    32. 7006-35-1

    33. Zinc6661404

    34. Bbl009711

    35. Bdbm50463187

    36. Fd3017

    37. Stl141076

    38. Akos005716904

    39. Akos015854102

    40. Akos032949750

    41. Ac-8655

    42. Am81800

    43. Cs-w013288

    44. Hy-w012572

    45. Ncgc00142611-01

    46. Ncgc00142611-02

    47. As-13490

    48. D-histidine, Puriss., >=99.0% (t)

    49. D-a-amino-ss-(4-imidazolyl)propionic Acid

    50. D-histidine, Vetec(tm) Reagent Grade, 98%

    51. H0998

    52. Ms31160000

    53. C06419

    54. M02972

    55. 3-(1h-imidazole-4-yl)-2-aminopropanoic Acid;

    56. 351h508

    57. A822610

    58. A836759

    59. (2r)-2-azanyl-3-(1h-imidazol-5-yl)propanoic Acid

    60. Q-101530

    61. Q27077043

    62. Z1270387295

    63. E13ff66c-6b46-4431-ae14-82a8d0c9dd56

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 155.15 g/mol
    Molecular Formula C6H9N3O2
    XLogP3-3.2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass155.069476538 g/mol
    Monoisotopic Mass155.069476538 g/mol
    Topological Polar Surface Area92 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity151
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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