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    Sorbitane Monooleate

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Sorbitan, mono-(9z)-9-octadecenoate, Arlacel 80, Span 80, 1338-43-8, Anhydrosorbitol monooleate, Sorbitan mono-oletae
    Molecular Formula
    C24H44O6
    Molecular Weight
    428.6  g/mol
    InChI Key
    NWGKJDSIEKMTRX-AAZCQSIUSA-N
    FDA UNII
    06XEA2VD56
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-octadec-9-enoate
    2.1.2 InChI
    InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/b10-9-/t20-,21+,23+,24+/m0/s1
    2.1.3 InChI Key
    NWGKJDSIEKMTRX-AAZCQSIUSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCC=CCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O
    2.1.5 Isomeric SMILES
    CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    06XEA2VD56
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Sorbitan Oleate

    2. Span 80

    2.3.2 Depositor-Supplied Synonyms

    1. Sorbitan, Mono-(9z)-9-octadecenoate

    2. Arlacel 80

    3. Span 80

    4. 1338-43-8

    5. Anhydrosorbitol Monooleate

    6. Sorbitan Mono-oletae

    7. Sorbitan Oleate

    8. Sorbitan, Mono-9-octadecenoate

    9. 06xea2vd56

    10. Ins No.494

    11. Ins-494

    12. 1,4-anhydro-6-o-[(9z)-octadec-9-enoyl]-d-glucitol

    13. Nsc-406239

    14. Ncgc00164240-01

    15. Sorbitan Oleate [inn]

    16. E-494

    17. Dsstox_cid_7397

    18. Dsstox_rid_78437

    19. D-glucitol, 1,4-anhydro-, 6-(9-octadecenoate)

    20. Dsstox_gsid_27397

    21. Sorbitan Mono-oleate

    22. Cas-1338-43-8

    23. Sorbitan Monooleate [usan]

    24. Sorbitani Oleas

    25. Glycomul O

    26. Sorbitan O

    27. Alkamuls Smo

    28. Armotan Mo

    29. Dehymuls Smo

    30. Lonzest Smo

    31. Nsc 406239

    32. Oleate De Sorbitan

    33. Kosteran O 1

    34. Oleato De Sorbitano

    35. Crill 4

    36. Sorbester P 17

    37. Disponil 100

    38. Montan 80

    39. Newcol 80

    40. Nonion Op80r

    41. Radiasurf 7155

    42. Sorgen 40

    43. Sorgen 40a

    44. Montane 80 Vga

    45. Rheodol Ao 10

    46. Atmer 05

    47. Emasol O 10

    48. Emasol O 10f

    49. Kemmat S 80

    50. Nikkol So 10

    51. Nikkol So-15

    52. Sorbon S 80

    53. Emasol 410

    54. Rheodol Sp-o 10

    55. Rikemal O 250

    56. Sorbitan, Mono-9-octadecenoate, (z)-

    57. Emsorb 2500

    58. Ionet S-80

    59. Span-80

    60. S 271 (surfactant)

    61. Nissan Nonion Op 80r

    62. Mannide Monooleate, Liquid

    63. Dianhydromannitol Monooleate

    64. Schembl4504

    65. Span(r) 80, For Gc

    66. Unii-06xea2vd56

    67. Monodehydrosorbitol Monooleate

    68. Sorbitan Monooleic Acid Ester

    69. Ccris 710

    70. Sorbitani Oleas [inn-latin]

    71. Mannide Monooleate, From Plant

    72. Sorbitan Esters Sorbitan Oleate

    73. Sorbitan Oleate [inci]

    74. Ml 55f

    75. Mo 33f

    76. S-max 80

    77. Sorbitan Monooleate [usan:nf]

    78. Chembl1894187

    79. Dtxsid6027397

    80. Sorbitan Monooleate [ii]

    81. Sorbitan Oleate [mart.]

    82. Hsdb 5822

    83. Oleate De Sorbitan [inn-french]

    84. Sorbitan Monooleate [fcc]

    85. Span #80 (sorbitan Monooleate)

    86. Chebi:183688

    87. Span(r) 80, Nonionic Surfactant

    88. Sorbitan Monooleate [hsdb]

    89. Oleato De Sorbitano [inn-spanish]

    90. Sorbitan Monooleate [vandf]

    91. Zinc8214458

    92. Einecs 215-665-4

    93. Tox21_113539

    94. Tox21_300389

    95. Mfcd00080948

    96. Sorbitan Monooleate, Saj First Grade

    97. Akos024431316

    98. Sorbitan Mono-oleate [who-dd]

    99. Sorbitan Oleate [ep Monograph]

    100. Ncgc00164240-02

    101. Ncgc00254386-01

    102. S 80

    103. Sorbitan Esters, Mono(z)-9-octadecenoate

    104. G 946

    105. O 250

    106. S 270

    107. S0060

    108. Sorbitan Esters Sorbitan Oleate [mi]

    109. 1,4-anhydro-d-glucitol, 6-(9-octadecenoate)

    110. J-006443

    111. Q2303156

    112. 1,4-anhydro-d-glucitol, 6-(9-octadecenoate

    113. Span(r) 80, Viscosity 1000-2000 Mpa.s (20 C)

    114. [(2r)-2-[(2r,3r,4s)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (z)-octadec-9-enoate

    115. Sorbitan Monooleate. (compound Usually Contains Also Associated Fatty Acids.)

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 428.6 g/mol
    Molecular Formula C24H44O6
    XLogP36
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count19
    Exact Mass428.31378912 g/mol
    Monoisotopic Mass428.31378912 g/mol
    Topological Polar Surface Area96.2 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity453
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Minimum/Potential Fatal Human Dose

    1. 1= PRACTICALLY NONTOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) ABOVE 15 G/KG; MORE THAN 1 QT (2.2 LB) FOR 70 KG PERSON (150 LB). /SORBITAN MONOSTEARATE/

    Gosselin, R.E., H.C. Hodge, R.P. Smith, and M.N. Gleason. Clinical Toxicology of Commercial Products. 4th ed. Baltimore: Williams and Wilkins, 1976., p. II-181

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Surface-Active Agents

    Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics. (See all compounds classified as Surface-Active Agents.)

    5.2 Absorption, Distribution and Excretion

    WHEN DIGESTED, BOTH THE FATTY ACID & THE POLYHYDRIC ALCOHOL SORBITAN ARE ABSORBED, BUT THE LATTER IS COMPLETELY EXCRETED IN URINE. /SORBITAN MONOSTEARATE/

    Gosselin, R.E., H.C. Hodge, R.P. Smith, and M.N. Gleason. Clinical Toxicology of Commercial Products. 4th ed. Baltimore: Williams and Wilkins, 1976., p. II-181