Please Wait
Applying Filters...
menu
    • menu
    LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

    Virtual Booth

    Contact Supplier

    Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

    Virtual Booth

    Contact Supplier

    pharmacompass-1-m-2025-11-03

    Virtual Booth

    An Enquiry

    Mission CDMO team brings reliability, resourcefulness, & responsiveness in executing your development project.

    Virtual Booth

    Contact Supplier

    Jai Radhe Sales is your partner for all your sourcing needs.

    Virtual Booth

    Contact Supplier

    pharmacompass-2-m-2025-11-03

    Virtual Booth

    An Enquiry

    Menu

    Encaleret

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: Ef8081aq6g, Chembl1672973, Encaleret (usan), Encaleret [usan], 787583-71-5, (1,1'-biphenyl)-4-carboxylic acid, 2'-((1r)-1-((2r)-3-((2-(4-chloro-3-fluorophenyl)-1,1-dimethylethyl)amino)-2-hydroxypropoxy)ethyl)-3-methyl-
    Molecular Formula
    C29H33ClFNO4
    Molecular Weight
    514.0  g/mol
    InChI Key
    UNFHDRVFEQPUEL-DENIHFKCSA-N
    FDA UNII
    EF8081AQ6G
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[2-[(1R)-1-[(2R)-3-[[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]phenyl]-2-methylbenzoic acid
    2.1.2 InChI
    InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1
    2.1.3 InChI Key
    UNFHDRVFEQPUEL-DENIHFKCSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC(=C1)C2=CC=CC=C2C(C)OCC(CNC(C)(C)CC3=CC(=C(C=C3)Cl)F)O)C(=O)O
    2.1.5 Isomeric SMILES
    CC1=C(C=CC(=C1)C2=CC=CC=C2[C@@H](C)OC[C@@H](CNC(C)(C)CC3=CC(=C(C=C3)Cl)F)O)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    EF8081AQ6G
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Ef8081aq6g

    2. Chembl1672973

    3. Encaleret (usan)

    4. Encaleret [usan]

    5. 787583-71-5

    6. (1,1'-biphenyl)-4-carboxylic Acid, 2'-((1r)-1-((2r)-3-((2-(4-chloro-3-fluorophenyl)-1,1-dimethylethyl)amino)-2-hydroxypropoxy)ethyl)-3-methyl-

    7. 2'-((1r)-1-(((1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl)amino)-(2r)-2-hydroxypropoxy)ethyl)-3-methyl(1,1'-biphenyl)-4-carboxylic Acid

    8. 2'-((1r)-1-(((2r)-3-((1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl)amino)-2-hydroxypropyl)oxy)ethyl)-3-methyl-1,1'-biphenyl-4-carboxylic Acid

    9. Encaleret [inn]

    10. Unii-ef8081aq6g

    11. Encaleret [usan:inn]

    12. Encaleret [who-dd]

    13. Schembl482046

    14. Gtpl9474

    15. Bdbm50337103

    16. Zinc66097848

    17. 4-[2-[(1r)-1-[(2r)-3-[[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]phenyl]-2-methylbenzoic Acid

    18. D10068

    19. Q27277151

    20. 2''-((1r)-1-{(2r)-3-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-ylamino]-2-hydroxypropoxy}ethyl)-3-methylbiphenyl-4-carboxylic Acid Hemisulfate

    21. 2'-((1r)-1-((2r)-3-((1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl)amino)-2-hydroxypropoxy)ethyl)-3-methyl(1,1'-biphenyl)-4-carboxylic Acid

    2.4 Create Date
    2010-10-25
    3 Chemical and Physical Properties
    Molecular Weight 514.0 g/mol
    Molecular Formula C29H33ClFNO4
    XLogP33.5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count11
    Exact Mass513.2082144 g/mol
    Monoisotopic Mass513.2082144 g/mol
    Topological Polar Surface Area78.8 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity694
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1