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    Nafarelin Acetate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    RELATED EXCIPIENT COMPANIES

    EXCIPIENTS BY APPLICATIONS

    DIGITAL CONTENT

    GLOBAL SALES INFORMATION

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    2D Structure
    Also known as: Nafarelin acetate hydrate (jan), Synarel (tn), Chebi:7446, Bcp19032, Ft-0642036, D00990
    Molecular Formula
    C68H89N17O16
    Molecular Weight
    1400.5  g/mol
    InChI Key
    FSBTYDWUUWLHBD-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    acetic acid;N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrate
    2.1.2 InChI
    InChI=1S/C66H83N17O13.C2H4O2.H2O/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46;1-2(3)4;/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71);1H3,(H,3,4);1H2
    2.1.3 InChI Key
    FSBTYDWUUWLHBD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8.CC(=O)O.O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Nafarelin Acetate Hydrate (jan)

    2. Synarel (tn)

    3. Chebi:7446

    4. Bcp19032

    5. Ft-0642036

    6. D00990

    7. Rs 94991 298;rs-94991-298;rs94991298

    2.3 Create Date
    2008-12-10
    3 Chemical and Physical Properties
    Molecular Weight 1400.5 g/mol
    Molecular Formula C68H89N17O16
    Hydrogen Bond Donor Count18
    Hydrogen Bond Acceptor Count18
    Rotatable Bond Count33
    Exact Mass1399.66731982 g/mol
    Monoisotopic Mass1399.66731982 g/mol
    Topological Polar Surface Area513 Ų
    Heavy Atom Count101
    Formal Charge0
    Complexity2760
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count9
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 2  
    Drug NameSynarel
    PubMed HealthNafarelin (Into the nose)
    Drug ClassesEndocrine-Metabolic Agent
    Drug LabelSYNAREL (nafarelin acetate) Nasal Solution is intended for administration as a spray to the nasal mucosa. Nafarelin acetate, the active component of SYNAREL Nasal Solution, is a decapeptide with the chemical name: 5-oxo-L-prolyl-L-histidyl-L-tryptoph...
    Active IngredientNafarelin acetate
    Dosage FormSpray, metered
    RouteNasal
    Strengtheq 0.2mg base/spray
    Market StatusPrescription
    CompanyGd Searle

    2 of 2  
    Drug NameSynarel
    PubMed HealthNafarelin (Into the nose)
    Drug ClassesEndocrine-Metabolic Agent
    Drug LabelSYNAREL (nafarelin acetate) Nasal Solution is intended for administration as a spray to the nasal mucosa. Nafarelin acetate, the active component of SYNAREL Nasal Solution, is a decapeptide with the chemical name: 5-oxo-L-prolyl-L-histidyl-L-tryptoph...
    Active IngredientNafarelin acetate
    Dosage FormSpray, metered
    RouteNasal
    Strengtheq 0.2mg base/spray
    Market StatusPrescription
    CompanyGd Searle