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    CAS 38344-08-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 38344-08-0, 17-phenyl-trinor-pgf2alpha, 17-phenyltrinorprostaglandinf2alpha, 17-phenyl trinor prostaglandin f2alpha, 17-phenyl-trinor-prostaglandin f2alpha, Chembl3914661
    Molecular Formula
    C23H32O5
    Molecular Weight
    388.5  g/mol
    InChI Key
    YFHHIZGZVLHBQZ-KDACTHKWSA-N
    FDA UNII
    2683MK55HG
    bimatoprost acid is a natural product found in Trypanosoma brucei with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid
    2.1.2 InChI
    InChI=1S/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,21-,22+/m0/s1
    2.1.3 InChI Key
    YFHHIZGZVLHBQZ-KDACTHKWSA-N
    2.1.4 Canonical SMILES
    C1C(C(C(C1O)C=CC(CCC2=CC=CC=C2)O)CC=CCCCC(=O)O)O
    2.1.5 Isomeric SMILES
    C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](CCC2=CC=CC=C2)O)C/C=C\CCCC(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    2683MK55HG
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 17-phenyl-18,19,20-trinorprostaglandin F2 Alpha

    2.3.2 Depositor-Supplied Synonyms

    1. 38344-08-0

    2. 17-phenyl-trinor-pgf2alpha

    3. 17-phenyltrinorprostaglandinf2alpha

    4. 17-phenyl Trinor Prostaglandin F2alpha

    5. 17-phenyl-trinor-prostaglandin F2alpha

    6. Chembl3914661

    7. 2683mk55hg

    8. 9s,11r,15s-trihydroxy-17-phenyl-18,19,20-trinor-5z,13e-prostadienoic Acid

    9. U-35687

    10. (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3s)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic Acid

    11. (5z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(s,e)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic Acid

    12. (z)-7-((1r,2r,3r,5s)-3,5-dihydroxy-2-((s,e)-3-hydroxy-5-phenylpent-1-en-1-yl)cyclopentyl)hept-5-enoic Acid

    13. Bimatoprost (free Acid Form)

    14. Unii-2683mk55hg

    15. 17-phenyl-omega-trinor-pgf2alpha

    16. (5z)-7-((1r,2r,3r,5s)-3,5-dihydroxy-2-((s,e)-3-hydroxy-5-phenylpent-1-enyl)cyclopentyl)hept-5-enoic Acid

    17. Bimatoprost, Free Acid

    18. 17-phenyl Trinor Pgf2a

    19. Bimatoprost Impurity C

    20. Phxa 70

    21. Phxa-70

    22. 17-phenyl-18,19,20-trinorprostaglandin F2alpha

    23. Gtpl1959

    24. Schembl2472056

    25. Chebi:73773

    26. Dtxsid001316541

    27. (5z)-7-((1r,2r,3r,5s)-3,5-dihydroxy-2-((1e,3s)-3-hydroxy-5-phenyl-1-penten-1-yl)cyclopentyl)-5-heptenoic Acid

    28. 17-phenyl Trinor Prostaglandin F2a

    29. Bdbm50206014

    30. Lmfa03010081

    31. Zinc13589949

    32. 17-phenyl-trinor Pgf 2.alpha.

    33. 17-phenyl Trinor Prostaglandin F2-alpha

    34. Ac-30204

    35. Bb173258

    36. U 35687

    37. 17-phenyl-18,19,20-trinor-pgf2.alpha.

    38. Q27075269

    39. 17-phenyl-18,19,20-trinorprostaglandin F2.alpha.

    40. 9alpha,11alpha,15s-trihydroxy-17-phenyl-18,19,20-trinor-prosta-5z,13e-dien-1-oic Acid

    41. (5z)-7-((1r)-3a,5a-dihydroxy-2b-((1e,3s)-3-hydroxy-5-phenyl-1-pentenyl)cyclopentan-1a-yl)-5-heptenoic Acid

    42. (5z)-7-{(1r,2r,3r,5s)-3,5-dihydroxy-2-[(1e,3s)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl}hept-5-enoic Acid

    43. 5-heptenoic Acid, 7-((1r,2r,3r,5s)-3,5-dihydroxy-2-((1e,3s)-3-hydroxy-5-phenyl-1-penten-1-yl)cyclopentyl)-, (5z)-

    44. 5-heptenoic Acid, 7-(3,5-dihydroxy-2-(3-hydroxy-5-phenyl-1- Pentenyl)cyclopentyl)-, (1r- (1.alpha.(z),2.beta.(1e,3s*),3.alpha.,5.alpha.))-

    45. 5-heptenoic Acid, 7-(3,5-dihydroxy-2-(3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-, (1r-(1alpha(z),2beta(1e,3s*),3alpha,5alpha))-

    2.4 Create Date
    2006-01-13
    3 Chemical and Physical Properties
    Molecular Weight 388.5 g/mol
    Molecular Formula C23H32O5
    XLogP32.7
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count11
    Exact Mass388.22497412 g/mol
    Monoisotopic Mass388.22497412 g/mol
    Topological Polar Surface Area98 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity509
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1