Please Wait
Applying Filters...
menu
    • menu
    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    Virtual Booth

    Contact Supplier

    Cohance Lifesciences, offers full range of CDMO services for small molecule APIs, intermediates, ADCs, Pellets and Formulations.

    Virtual Booth

    Contact Supplier

    Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

    Virtual Booth

    Contact Supplier

    Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

    Virtual Booth

    Contact Supplier

    Fishfa Biogenics: Renowned Manufacturer, & Exporter of Tacrolimus & Mupirocin API.

    Virtual Booth

    Contact Supplier

    pharmacompass-2-m-2025-11-03

    Virtual Booth

    An Enquiry

    Menu

    Rolapitant

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

    DRUG PRODUCT COMPOSITIONS

    RELATED EXCIPIENT COMPANIES

    EXCIPIENTS BY APPLICATIONS

    DIGITAL CONTENT

    GLOBAL SALES INFORMATION

    MARKET PLACE

    PATENTS & EXCLUSIVITIES

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: Rolapitant hydrochloride hydrate, 914462-92-3, Rolapitant hcl, Varubi, Sch619734, Rolapitant hcl h20
    Molecular Formula
    C25H29ClF6N2O3
    Molecular Weight
    555.0  g/mol
    InChI Key
    GZQWMYVDLCUBQX-WVZIYJGPSA-N
    FDA UNII
    57O5S1QSAQ
    Rolapitant Hydrochloride is the hydrochloride salt form of rolapitant, an orally bioavailable, centrally-acting, selective, neurokinin 1 receptor (NK1-receptor) antagonist with potential antiemetic activity. Upon oral administration, rolapitant competitively binds to and blocks the activity of the NK1-receptor in the central nervous system, thereby inhibiting the binding of the endogenous ligand, substance P (SP). This may prevent both SP-induced emesis and chemotherapy-induced nausea and vomiting (CINV). The interaction of SP with the NK1-receptor plays a key role in the induction of nausea and vomiting caused by emetogenic cancer chemotherapy. Compared to other NK1-receptor antagonists, rolapitant has both a more rapid onset of action and a much longer half-life.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one;hydrate;hydrochloride
    2.1.2 InChI
    InChI=1S/C25H26F6N2O2.ClH.H2O/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22;;/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34);1H;1H2/t16-,22-,23-;;/m1../s1
    2.1.3 InChI Key
    GZQWMYVDLCUBQX-WVZIYJGPSA-N
    2.1.4 Canonical SMILES
    CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OCC2(CCC3(CCC(=O)N3)CN2)C4=CC=CC=C4.O.Cl
    2.1.5 Isomeric SMILES
    C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@]3(CCC(=O)N3)CN2)C4=CC=CC=C4.O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    57O5S1QSAQ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (5s,8s)-8-(((1r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro(4.5)decan-2-one

    2. 8-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro(4,5)decan-2-one

    3. Rolapitant

    4. Sch 619734

    5. Varubi

    2.3.2 Depositor-Supplied Synonyms

    1. Rolapitant Hydrochloride Hydrate

    2. 914462-92-3

    3. Rolapitant Hcl

    4. Varubi

    5. Sch619734

    6. Rolapitant Hcl H20

    7. Rolapitant Hydrochloride [usan]

    8. Rolapitant Hydrochloride Monohydrate

    9. 57o5s1qsaq

    10. Varubi (tn)

    11. (5s,8s)-8-(((1r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro(4.5)decan-2-one Monohydrochloride Monohydrate

    12. (5s,8s)-8-[[(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one;hydrate;hydrochloride

    13. Rolapitant Hydrochloride (usan)

    14. Rolapitant Hcl Hydrate

    15. 1,7-diazaspiro(4.5)decan-2-one, 8-(((1r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-, Monohydrochloride, Monohydrate, (5s,8s)-

    16. Unii-57o5s1qsaq

    17. Rolapitant.hcl.h2o

    18. Schembl2173125

    19. Chembl3707330

    20. Chebi:90911

    21. Dtxsid70238570

    22. Bcp15968

    23. Mfcd19443696

    24. Rolapitant Hydrochloride [mi]

    25. Rolapitant Monohydrochloride Monohydrate

    26. Ac-35397

    27. Bs-17849

    28. Rolapitant Hydrochloride [orange Book]

    29. D08988

    30. D83025

    31. Rolapitant Hydrochloride Monohydrate [who-dd]

    32. Q27162902

    33. (5s,8s)-8-({(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-2-oxo-8-phenyl-1,7-diazaspiro[4.5]decan-7-ium Chloride--water (1/1)

    34. (5s,8s)-8-({(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one Hydrochloride--water (1/1)

    2.4 Create Date
    2007-07-09
    3 Chemical and Physical Properties
    Molecular Weight 555.0 g/mol
    Molecular Formula C25H29ClF6N2O3
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count5
    Exact Mass554.1770895 g/mol
    Monoisotopic Mass554.1770895 g/mol
    Topological Polar Surface Area51.4 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity731
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 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.)