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    Also known as: 62561-03-9, 55028-72-3, (+)-cloprostenol sodium, Estrumate, Cloprostenol sodium salt, D-cloprostenol sodium salt
    Molecular Formula
    C22H28ClNaO6
    Molecular Weight
    446.9  g/mol
    InChI Key
    IFEJLMHZNQJGQU-KXXGZHCCSA-M
    FDA UNII
    81129I41BJ
    Cloprostenol Sodium
    A synthetic prostaglandin F2alpha analog. The compound has luteolytic effects and is used for the synchronization of estrus in cattle.
    1 2D Structure

    Cloprostenol Sodium

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
    2.1.2 InChI
    InChI=1S/C22H29ClO6.Na/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28;/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28);/q;+1/p-1/b3-1-,11-10+;/t16-,18-,19-,20+,21-;/m1./s1
    2.1.3 InChI Key
    IFEJLMHZNQJGQU-KXXGZHCCSA-M
    2.1.4 Canonical SMILES
    C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)[O-])O.[Na+]
    2.1.5 Isomeric SMILES
    C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](COC2=CC(=CC=C2)Cl)O)C/C=C\CCCC(=O)[O-])O.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    81129I41BJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cloprostenol

    2. Cloprostenol Monosodium Salt

    3. Estrumate

    4. Ici 80,966

    5. Ici-80,966

    6. Ici80,966

    7. Monosodium Salt, Cloprostenol

    8. Oestrophan

    9. Salt, Cloprostenol Monosodium

    10. Sodium, Cloprostenol

    2.3.2 Depositor-Supplied Synonyms

    1. 62561-03-9

    2. 55028-72-3

    3. (+)-cloprostenol Sodium

    4. Estrumate

    5. Cloprostenol Sodium Salt

    6. D-cloprostenol Sodium Salt

    7. Sodium (z)-7-((1r,2r,3r,5s)-2-((r,e)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate

    8. (+)-cloprostenol (sodium Salt)

    9. (+/-)-cloprostenol Sodium Salt

    10. Cloprostenol Sodium, (+)-

    11. 81129i41bj

    12. 886sav9675

    13. Ici 80,996

    14. Ici 80996

    15. Planate

    16. Sodium;(z)-7-[(1r,2r,3r,5s)-2-[(e,3r)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate

    17. Sodium;(z)-7-[(1s,2s,3s,5r)-2-[(e,3s)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate

    18. Estroplan

    19. Sodium Cloprostenol

    20. 5-heptenoic Acid, 7-((1r,2r,3r,5s)-2-((1e,3r)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl)-, Sodium Salt (1:1), (5z)-

    21. Ncgc00165774-02

    22. Cloprostenol Sodium [usan]

    23. Unii-886sav9675

    24. Cloprostenol Sodium [usan:usp]

    25. Einecs 259-439-3

    26. Mfcd05863539

    27. D-cloprostenol Sodium

    28. Dsstox_cid_26500

    29. Dsstox_rid_81669

    30. Dsstox_gsid_46500

    31. Schembl28242

    32. Mls000028831

    33. Bml2-g09

    34. Chembl1520583

    35. Dtxsid1046500

    36. Unii-81129i41bj

    37. Hms1361o21

    38. Hms2235o09

    39. Hms3268j10

    40. Hms3413c18

    41. Amy30120

    42. Cloprostenol Sodium [mart.]

    43. Ex-a1351

    44. Tox21_112261

    45. Cloprostenol Sodium [usp-rs]

    46. Akos015967190

    47. Akos024457034

    48. Ac-6102

    49. Cloprostenol Sodium [green Book]

    50. Ncgc00159550-01

    51. (+-)-sodium (z)-7-((1r*,2r*,3r*,5s*)-2-((e)-(3r*)-4-(m-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-5-heptenoate

    52. Ac-25916

    53. Cloprostenol Sodium [usp Impurity]

    54. Smr000058871

    55. Cloprostenol Sodium [usp Monograph]

    56. Cas-55028-72-3

    57. (+)-16-m-chlorophenoxy Tetranor Pgf2alpha

    58. C75577

    59. A850969

    60. J-524247

    61. J-524252

    62. 16-(m-chlorophenoxy)-tetranor- Prostaglandin F2alpha,sodium Salt

    63. (+/-)-sodium (z)-7-((1r*,2r*,3r*,5s*)-2-((e)-(3r*)-4-(m-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-5-heptenoate

    64. (5z)-rel-7-[(1r,2r,3r,5s)-2-[(1e,3r)-4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]-3,5-dihydroxycyclopentyl]-5-heptenoic Acid Monosodium Salt

    65. (z)-7-[2beta-[(1e,3r)-4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]-3alpha,5alpha-dihydroxycyclopentan-1alpha-yl]-5-heptenoic Acid Sodium Salt

    66. 5-heptenoic Acid, 7-((1r,2r,3r,5s)-2-((1e,3r)-4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, Monosodium Salt, (5z)-rel-

    67. 5-heptenoic Acid, 7-((1r,2r,3r,5s)-2-((1e,3s)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-y))-3,5-dihydroxycyclopentyl)-, Sodium Salt (1:1),(5z)-rel-

    68. 5-heptenoic Acid, 7-(2-(4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, (1a(z),2b(1e,3r*),3.alpha.,5.alpha.)-, Sodium Salt, (+/-)-

    69. 5-heptenoic Acid, 7-(2-(4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, (1alpha(z),2beta(1e,3r*),3alpha,5alpha)-, Sodium Salt, (+-)-

    70. 5-heptenoic Acid, 7-(2-(4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, Monosodium Salt, (1alpha(z),2beta(1e,3r*),3alpha,5alpha)-(+-)-

    71. Sodium (1alpha(z),2beta(1e,3r*),3alpha,5alpha)-(1)-7-(2-(4-(3-chlorophenoxy)-3-hydroxybut-1-enyl)-3,5-dihydroxycyclopentyl)hept-5-enoate

    72. Sodium (e)-7-((1r,2r,3r,5s)-2-((r,e)-3-(3-chlorophenoxy)-3-hydroxyprop-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate

    73. Sodium (z)-rel-7-((1r,2r,3r,5s)-2-((r,e)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate

    74. Sodium(z)-7-((1r,2r,3r,5s)-2-((r,e)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate

    2.4 Create Date
    2007-11-30
    3 Chemical and Physical Properties
    Molecular Weight 446.9 g/mol
    Molecular Formula C22H28ClNaO6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count11
    Exact Mass446.1472106 g/mol
    Monoisotopic Mass446.1472106 g/mol
    Topological Polar Surface Area110 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity558
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Luteolytic Agents

    Chemical compounds that cause LUTEOLYSIS or degeneration of the CORPUS LUTEUM. (See all compounds classified as Luteolytic Agents.)

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    18-Jun-2021
    15-Aug-2024
    KGS
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    (USD/KGS)    		 Number of Transactions

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