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    CAS 38315-47-8

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    CAS 38315-47-8
    Also known as: 38315-47-8, Bimatoprost impurity d, Bimatoprost methyl ester, 9uhl27lct4, 17-phenyl-18,19,20-trinor-pgf2alpha methyl ester, (5z)-7-((1r,2r,3r,5s)-3,5-dihydroxy-2-((1e,3s)-3-hydroxy-5-phenyl-1-penten-1-yl)cyclopentyl)-5-heptenoic acid methyl ester
    Molecular Formula
    C24H34O5
    Molecular Weight
    402.5  g/mol
    InChI Key
    UQBYFURYGYNQLQ-FDBOBMRISA-N
    FDA UNII
    9UHL27LCT4
    1 2D Structure

    CAS 38315-47-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
    2.1.2 InChI
    InChI=1S/C24H34O5/c1-29-24(28)12-8-3-2-7-11-20-21(23(27)17-22(20)26)16-15-19(25)14-13-18-9-5-4-6-10-18/h2,4-7,9-10,15-16,19-23,25-27H,3,8,11-14,17H2,1H3/b7-2-,16-15+/t19-,20+,21+,22-,23+/m0/s1
    2.1.3 InChI Key
    UQBYFURYGYNQLQ-FDBOBMRISA-N
    2.1.4 Canonical SMILES
    COC(=O)CCCC=CCC1C(CC(C1C=CC(CCC2=CC=CC=C2)O)O)O
    2.1.5 Isomeric SMILES
    COC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=CC=C2)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    9UHL27LCT4
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 38315-47-8

    2. Bimatoprost Impurity D

    3. Bimatoprost Methyl Ester

    4. 9uhl27lct4

    5. 17-phenyl-18,19,20-trinor-pgf2alpha Methyl Ester

    6. (5z)-7-((1r,2r,3r,5s)-3,5-dihydroxy-2-((1e,3s)-3-hydroxy-5-phenyl-1-penten-1-yl)cyclopentyl)-5-heptenoic Acid Methyl Ester

    7. (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-((e)-(s)-3-hydroxy-5-phenyl-pent-1-enyl)-cyclopentyl]-hept-5-enoic Acid Methyl Ester

    8. (z)-methyl 7-((1r,2r,3r,5s)-3,5-dihydroxy-2-((s,e)-3-hydroxy-5-phenylpent-1-en-1-yl)cyclopentyl)hept-5-enoate

    9. 5-heptenoic Acid, 7-((1r,2r,3r,5s)-3,5-dihydroxy-2-((1e,3s)-3-hydroxy-5-phenyl-1-penten-1-yl)cyclopentyl)-, Methyl Ester, (5z)-

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

    11. Unii-9uhl27lct4

    12. Schembl4400156

    13. Hy-b0191b

    14. Dtxsid401255490

    15. Zinc22002651

    16. Akos015967183

    17. Cs-0590283

    18. Q27273242

    19. 17-phenyl-18,19,20-trinor-pgf2.alpha. Methyl Ester

    20. (5z)-7-[2beta-[(1e,3s)-3-hydroxy-5-phenyl-1-pentenyl]-3alpha,5alpha-dihydroxycyclopentane-1alpha-yl]-5-heptenoic Acid Methyl Ester

    21. (5z)-methyl 7-((1r,2r,3r,5s)-3,5-dihydroxy-2-((s,e)-3-hydroxy-5-phenylpent-1-enyl)cyclopentyl)hept-5-enoate

    22. (5z)-methyl7-((1r,2r,3r,5s)-3,5-dihydroxy-2-((s,e)-3-hydroxy-5-phenylpent-1-enyl)cyclopentyl)hept-5-enoate

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

    24. (z)-methyl7-((1r,2r,3r,5s)-3,5-dihydroxy-2-((s,e)-3-hydroxy-5-phenylpent-1-en-1-yl)cyclopentyl)hept-5-enoate

    2.4 Create Date
    2009-05-28
    3 Chemical and Physical Properties
    Molecular Weight 402.5 g/mol
    Molecular Formula C24H34O5
    XLogP33
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count12
    Exact Mass402.24062418 g/mol
    Monoisotopic Mass402.24062418 g/mol
    Topological Polar Surface Area87 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity523
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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