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    Nevirapine hemihydrate

    ACTIVE PHARMA INGREDIENTS

    RELATED EXCIPIENT COMPANIES

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    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: 220988-26-1, B7xf2td73c, 2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;hydrate, Unii-b7xf2td73c, Schembl1923903, Dtxsid30176606
    Molecular Formula
    C30H30N8O3
    Molecular Weight
    550.6  g/mol
    InChI Key
    KMTLSXAXTLQBKJ-UHFFFAOYSA-N
    FDA UNII
    B7XF2TD73C
    A potent, non-nucleoside reverse transcriptase inhibitor used in combination with nucleoside analogues for treatment of HIV INFECTIONS and AIDS.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;hydrate
    2.1.2 InChI
    InChI=1S/2C15H14N4O.H2O/c2*1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10;/h2*2-3,6-8,10H,4-5H2,1H3,(H,18,20);1H2
    2.1.3 InChI Key
    KMTLSXAXTLQBKJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4.CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4.O
    2.2 Other Identifiers
    2.2.1 UNII
    B7XF2TD73C
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bi Rg 587

    2. Bi-rg-587

    3. Birg587

    4. Hemihydrate, Nevirapine

    5. Nevirapine

    6. Viramune

    2.3.2 Depositor-Supplied Synonyms

    1. 220988-26-1

    2. B7xf2td73c

    3. 2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;hydrate

    4. Unii-b7xf2td73c

    5. Schembl1923903

    6. Dtxsid30176606

    7. Nevirapine Hemihydrate [usp-rs]

    8. Nevirapine Hemihydrate [who-dd]

    9. Nevirapine Hemihydrate [who-ip]

    10. Nevirapine Hemihydrate [ep Monograph]

    11. Nevirapine Hemihydrate [usp Monograph]

    12. Nevirapinum Hemihydrate [who-ip Latin]

    13. Q27274473

    14. 6h-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-cyclopropyl-5,11-dihydro-4-methyl-, Hydrate (2:1)

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 550.6 g/mol
    Molecular Formula C30H30N8O3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count2
    Exact Mass550.24408685 g/mol
    Monoisotopic Mass550.24408685 g/mol
    Topological Polar Surface Area117 Ų
    Heavy Atom Count41
    Formal Charge0
    Complexity397
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    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

    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.)

    Cytochrome P-450 CYP3A Inducers

    Drugs and compounds that induce the synthesis of CYTOCHROME P-450 CYP3A. (See all compounds classified as Cytochrome P-450 CYP3A Inducers.)

    Reverse Transcriptase Inhibitors

    Inhibitors of reverse transcriptase (RNA-DIRECTED DNA POLYMERASE), an enzyme that synthesizes DNA on an RNA template. (See all compounds classified as Reverse Transcriptase Inhibitors.)