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    Salicin

    ACTIVE PHARMA INGREDIENTS

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 2,797Xls

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    2D Structure
    Also known as: 138-52-3, Salicoside, Salicine, D-(-)-salicin, Salicyl alcohol glucoside, D(-)-salicin
    Molecular Formula
    C13H18O7
    Molecular Weight
    286.28  g/mol
    InChI Key
    NGFMICBWJRZIBI-UJPOAAIJSA-N
    FDA UNII
    4649620TBZ
    salicin is a natural product found in Salix atrocinerea, Salix candida, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
    2.1.2 InChI
    InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
    2.1.3 InChI Key
    NGFMICBWJRZIBI-UJPOAAIJSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O
    2.1.5 Isomeric SMILES
    C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    4649620TBZ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Salicyl Alcohol Glucoside

    2.3.2 Depositor-Supplied Synonyms

    1. 138-52-3

    2. Salicoside

    3. Salicine

    4. D-(-)-salicin

    5. Salicyl Alcohol Glucoside

    6. D(-)-salicin

    7. (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(2-(hydroxymethyl)phenoxy)tetrahydro-2h-pyran-3,4,5-triol

    8. 2-(hydroxymethyl)phenyl Beta-d-glucopyranoside

    9. Saligenin Beta-d-glucopyranoside

    10. Saligenin-beta-d-glucopyranoside

    11. D-salicin

    12. Alpha-hydroxy-o-tolyl Beta-d-glucopyranoside

    13. Salicinum

    14. 2-(hydroxymethyl)phenyl-beta-d-glucopyranoside

    15. Nsc 5751

    16. O-(hydroxymethyl)phenyl Beta-d-glucopyranoside

    17. Beta-d-glucopyranoside, 2-(hydroxymethyl)phenyl

    18. Benzyl Alcohol, O-hydroxy-, O-glucoside

    19. Ai3-19099

    20. Spectrum1502255

    21. B-d-glucopyranoside, 2-(hydroxymethyl)phenyl

    22. Chebi:17814

    23. Nsc-5751

    24. D-()-salicin

    25. (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol

    26. 4649620tbz

    27. Sdccgmls-0066698.p001

    28. Ncgc00142605-01

    29. Mfcd00006590

    30. (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(2-(hydroxymethyl)-phenoxy)tetrahydro-2h-pyran-3,4,5-triol

    31. Smr000112301

    32. Salicin [usp]

    33. Sr-05000001594

    34. Salicin (6ci,8ci)

    35. Einecs 205-331-6

    36. Delta-salicin

    37. Unii-4649620tbz

    38. 2-(hydroxymethyl)phenyl Hexopyranoside

    39. Saligenin Glucoside

    40. Sa0

    41. D-(?)-salicin

    42. Spectrum_001230

    43. 2-(hydroxymethyl)phenyl-.beta.-d-glucopyranoside

    44. Salicin [inci]

    45. Salicin [mi]

    46. Salicinum [hpus]

    47. Spectrum2_000756

    48. Spectrum3_000948

    49. Spectrum4_001058

    50. Spectrum5_000971

    51. Bmse000315

    52. Salicyl Alcohol-b-glucoside

    53. Saligenin Bet.-d-glucoside

    54. D-salicin [usp-rs]

    55. Schembl24936

    56. Kbiogr_001356

    57. Kbioss_001710

    58. Saligenin-b-d-glucopyranoside

    59. Mls000563050

    60. Mls001306490

    61. Divk1c_000030

    62. S0625_sigma

    63. Spbio_000772

    64. Chembl462997

    65. Megxp0_000685

    66. Salicin (salicoside, Salicine)

    67. Acon1_000373

    68. Hms500b12

    69. Kbio1_000030

    70. Kbio2_001710

    71. Kbio2_004278

    72. Kbio2_006846

    73. Kbio3_002016

    74. Dtxsid10883326

    75. Ninds_000030

    76. Hms1921p08

    77. Hms2092f14

    78. Hms2268j11

    79. Hms3884b15

    80. Pharmakon1600-01502255

    81. Hy-n0149

    82. Saligenin Beta-delta-glucopyranoside

    83. Saligenin-beta-delta-glucopyranoside

    84. Zinc3847505

    85. D-(-)-salicin, Analytical Standard

    86. Ccg-40332

    87. Nsc758201

    88. S2351

    89. Zinc03847505

    90. Akos004907439

    91. Ac-8042

    92. Cs-8027

    93. D-(-)-salicin, >=99% (gc)

    94. Nsc-758201

    95. Idi1_000030

    96. Ncgc00142605-02

    97. Ncgc00142605-04

    98. (2s,4s,5s,3r,6r)-6-(hydroxymethyl)-2-[2-(hydroxymethyl)phenoxy]-2h-3,4,5,6-tet Rahydropyran-3,4,5-triol

    99. Salicyl Alcohol Glucoside [who-dd]

    100. Sbi-0051746.p002

    101. 2(hydroxymethyl)phenyl-beta-d-glucopyranoside

    102. N1880

    103. S0003

    104. Sw219123-1

    105. C01451

    106. 2-(hydroxymethyl)-phenyl-beta-d-glucopyranoside

    107. 2-(hydroxymethyl)phenyl-&beta-d-glucopyranoside

    108. 2-(hydroxymethyl)phenyl-o-beta-d-glucopyranoside

    109. Ab00052296_07

    110. 138s523

    111. Q419173

    112. Sr-05000001594-1

    113. Sr-05000001594-2

    114. Brd-k64614248-001-02-4

    115. Brd-k64614248-001-06-5

    116. Ead32be1-198e-432c-9f44-dc0dc9a3305b

    117. Salicin, European Pharmacopoeia (ep) Reference Standard

    118. D-salicin, United States Pharmacopeia (usp) Reference Standard

    119. Wurcs=2.0/1,1,0/[a2122h-1b_1-5_1*o(c^zc^zc^zc^zc^zc^e$3)/4co]/1/

    120. 2-(hydroxymethyl)phenyl-beta-d-glucopyranoside, Salicoside, Salicyl Alcohol Glucoside, Saligenin Beta-d-glucoside

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 286.28 g/mol
    Molecular Formula C13H18O7
    XLogP3-1.2
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count4
    Exact Mass286.10525291 g/mol
    Monoisotopic Mass286.10525291 g/mol
    Topological Polar Surface Area120 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity300
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Cyclooxygenase Inhibitors

    Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes. (See all compounds classified as Cyclooxygenase Inhibitors.)