loader
Please Wait
Applying Filters...
menu
    • menu

    Technical details about Serlopitant, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

    Virtual Booth

    Contact Supplier

    Bora Pharmaceuticals- Making success more certain.

    Virtual Booth

    Contact Supplier

    Polfa Tarchomin is a leading Polish pharmaceutical company with 200 year tradition in manufacture and sale of pharmaceutical products.

    Virtual Booth

    Contact Supplier

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    Virtual Booth

    Contact Supplier

    Axplora- The partner of choice for complex APIs.

    Virtual Booth

    Contact Supplier

    Fareva is a one-stop-shop for API/HPAPI, OSD & Sterile products, is USFDA, EMA and PMDA-inspected and has multiple NDA & ANDA filings.

    Virtual Booth

    Contact Supplier

    Menu

    Serlopitant

    DEVELOPMENTS

    INTERMEDIATES

    DIGITAL CONTENT

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 860642-69-9, Vpd-737, Serlopitant [usan], Mk-0594, Chembl447955, 3-((3ar,4r,5s,7as)-5-((r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)hexahydro-1h-isoindol-2(3h)-yl)cyclopent-2-enone
    Molecular Formula
    C29H28F7NO2
    Molecular Weight
    555.5  g/mol
    InChI Key
    FLNYCRJBCNNHRH-OIYLJQICSA-N
    FDA UNII
    277V92K32B
    Serlopitant has been investigated for the treatment of Prurigo Nodularis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[(3aR,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]cyclopent-2-en-1-one
    2.1.2 InChI
    InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1
    2.1.3 InChI Key
    FLNYCRJBCNNHRH-OIYLJQICSA-N
    2.1.4 Canonical SMILES
    CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2CCC3CN(CC3C2C4=CC=C(C=C4)F)C5=CC(=O)CC5
    2.1.5 Isomeric SMILES
    C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CC[C@@H]3CN(C[C@H]3[C@@H]2C4=CC=C(C=C4)F)C5=CC(=O)CC5
    2.2 Other Identifiers
    2.2.1 UNII
    277V92K32B
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 860642-69-9

    2. Vpd-737

    3. Serlopitant [usan]

    4. Mk-0594

    5. Chembl447955

    6. 3-((3ar,4r,5s,7as)-5-((r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)hexahydro-1h-isoindol-2(3h)-yl)cyclopent-2-enone

    7. Serlopitant (usan)

    8. 277v92k32b

    9. 3-((3ar,4r,5s,7as)-5-((1r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4 Fluorophenyl)octahydro-2h-isoindol-2-yl)cyclopent-2-en-1-one

    10. 3-[(3ar,4r,5s,7as)-5-[(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]cyclopent-2-en-1-one

    11. Serlopitant [usan:inn]

    12. Unii-277v92k32b

    13. Vpd 737

    14. Serlopitant [inn]

    15. Serlopitant [who-dd]

    16. Gtpl9280

    17. Schembl3183159

    18. C29h28f7no2

    19. Dtxsid701006599

    20. Bdbm50277511

    21. Mfcd18782619

    22. Compound 17 (jiang Et Al. 2009)

    23. Db12973

    24. Vpd-737; Mk-0594

    25. Hy-12114

    26. Cs-0003087

    27. D09378

    28. Q21098912

    29. 2-cyclopenten-1-one, 3-((3ar,4r,5s,7as)-5-((1r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)octahydro-2h-isoindol-2-yl)-

    30. 3-((3ar,4r,5s,7as)-5-((r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)octahydro-2h-isoindol-2-yl)cyclopent-2-en-1-one

    31. 3-[(3ar,4r,5s,7as)-5-{(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-4-(4-fluorophenyl)-octahydro-2h-isoindol-2-yl]cyclopent-2-en-1-one

    32. 3-[(3ar,4r,5s,7as)-5-{(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-4-(4-fluorophenyl)octahydro-1h-isoindol-2-yl]cyclopent-2-en-1-one

    33. 3-[5-{1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-4-(4-fluorophenyl)octahydro-2h-isoindol-2-yl]cyclopent-2-en-1-one

    2.4 Create Date
    2008-01-28
    3 Chemical and Physical Properties
    Molecular Weight 555.5 g/mol
    Molecular Formula C29H28F7NO2
    XLogP36.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count5
    Exact Mass555.20082627 g/mol
    Monoisotopic Mass555.20082627 g/mol
    Topological Polar Surface Area29.5 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity888
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of prurigo nodularis

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Neurokinin-1 Receptor Antagonists

    Compounds that inhibit or block the activity of NEUROKININ-1 RECEPTORS. (See all compounds classified as Neurokinin-1 Receptor Antagonists.)