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    Elsulfavirine

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    2D Structure
    Also known as: 868046-19-9, Elsulfavirine [inn], Zc4cgo0rug, 2-fluorophenyl]acetamido}-, R-1206, 3-chlorobenzenesulfonyl)propanamide
    Molecular Formula
    C24H17BrCl2FN3O5S
    Molecular Weight
    629.3  g/mol
    InChI Key
    ULTDEARCBRNRGR-UHFFFAOYSA-N
    FDA UNII
    ZC4CGO0RUG
    Elsulfavirine is under investigation in clinical trial NCT03706898 (Study to Evaluate the Safety and PK of Elpida in Healthy Subjects and Patients With Hepatic Impairment and to Assess the Impact of Food Intake and Drug-Drug Interactions With Other Antiviral Drugs).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[4-[[2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]-3-chlorophenyl]sulfonylpropanamide
    2.1.2 InChI
    InChI=1S/C24H17BrCl2FN3O5S/c1-2-21(32)31-37(34,35)17-4-6-20(19(27)11-17)30-22(33)9-14-3-5-18(25)24(23(14)28)36-16-8-13(12-29)7-15(26)10-16/h3-8,10-11H,2,9H2,1H3,(H,30,33)(H,31,32)
    2.1.3 InChI Key
    ULTDEARCBRNRGR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(=O)NS(=O)(=O)C1=CC(=C(C=C1)NC(=O)CC2=C(C(=C(C=C2)Br)OC3=CC(=CC(=C3)C#N)Cl)F)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    ZC4CGO0RUG
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Elpida

    2. N-(4-((2-(4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl)acetyl)amino)-3-chlorophenyl)sulfonylpropanamide

    3. R-1206

    4. R1206

    2.3.2 Depositor-Supplied Synonyms

    1. 868046-19-9

    2. Elsulfavirine [inn]

    3. Zc4cgo0rug

    4. 2-fluorophenyl]acetamido}-

    5. R-1206

    6. 3-chlorobenzenesulfonyl)propanamide

    7. N-((4-(2-(4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl)acetamido)-3-chlorophenyl)sulfonyl)propionamide

    8. N-(4-{2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-

    9. Benzeneacetamide, 4-bromo-3-(3-chloro-5-cyanophenoxy)-n-(2-chloro-4-(((1-oxopropyl)amino)sulfonyl)phenyl)-2-fluoro-

    10. N-(4-((2-(4-bromo-3-(3-chloro-5-cyano-phenoxy)-2-fluoro-phenyl)acetyl)amino)-3-chloro-phenyl)sulfonylpropanamide

    11. Unii-zc4cgo0rug

    12. Elsulfavirine [who-dd]

    13. Schembl1341521

    14. Chembl4301163

    15. At14358

    16. Db14929

    17. Hy-109056

    18. Cs-0031646

    19. N-[4-[[2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]-3-chlorophenyl]sulfonylpropanamide

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 629.3 g/mol
    Molecular Formula C24H17BrCl2FN3O5S
    XLogP35.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count8
    Exact Mass626.94334 g/mol
    Monoisotopic Mass626.94334 g/mol
    Topological Polar Surface Area134 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity977
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-HIV Agents

    Agents used to treat AIDS and/or stop the spread of the HIV infection. These do not include drugs used to treat symptoms or opportunistic infections associated with AIDS. (See all compounds classified as Anti-HIV Agents.)