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    Leuprolide Acetate

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 74381-53-6, Leuprorelin acetate;h-pyr-his-trp-ser-tyr-d-leu-leu-arg-pro-nhet.ch3co2h, Lupron (tn), Mfcd00072080, Fensolvi (tn), Eligard (tn)
    Molecular Formula
    C61H88N16O14
    Molecular Weight
    1269.4  g/mol
    InChI Key
    RGLRXNKKBLIBQS-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-[[5-(diaminomethylideneamino)-1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-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
    2.1.2 InChI
    InChI=1S/C59H84N16O12.C2H4O2/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40;1-2(3)4/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64);1H3,(H,3,4)
    2.1.3 InChI Key
    RGLRXNKKBLIBQS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6.CC(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 74381-53-6

    2. Leuprorelin Acetate;h-pyr-his-trp-ser-tyr-d-leu-leu-arg-pro-nhet.ch3co2h

    3. Lupron (tn)

    4. Mfcd00072080

    5. Fensolvi (tn)

    6. Eligard (tn)

    7. Lutrate (tn)

    8. Leuprolide Acetate (usp)

    9. Leuprorelin Acetate (jp17)

    10. Schembl1651429

    11. 5-oxopro-his-trp-ser-tyr-d-leu-leu-arg-pronhc2h5 Dihydrate

    12. Amy12301

    13. Nsc746847

    14. Nsc-746847

    15. Sy225936

    16. Ft-0627807

    17. D00989

    18. Leuprorelin Acetate; Lupron; Leuprolide Acetate

    2.3 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 1269.4 g/mol
    Molecular Formula C61H88N16O14
    Hydrogen Bond Donor Count16
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count32
    Exact Mass1268.66659154 g/mol
    Monoisotopic Mass1268.66659154 g/mol
    Topological Polar Surface Area469 Ų
    Heavy Atom Count91
    Formal Charge0
    Complexity2420
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count9
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 2  
    Drug NameLeuprolide acetate
    Drug LabelLeuprolide acetate is a synthetic nonapeptide analog of naturally occurring gonadotropin releasing hormone (GnRH or LH-RH). The analog possesses greater potency than the natural hormone. The chemical name is 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-s...
    Active IngredientLeuprolide acetate
    Dosage FormInjectable
    RouteInjection
    Strength1mg/0.2ml
    Market StatusPrescription
    CompanyTeva Pharms Usa; Sandoz; Sun Pharma Global

    2 of 2  
    Drug NameLeuprolide acetate
    Drug LabelLeuprolide acetate is a synthetic nonapeptide analog of naturally occurring gonadotropin releasing hormone (GnRH or LH-RH). The analog possesses greater potency than the natural hormone. The chemical name is 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-s...
    Active IngredientLeuprolide acetate
    Dosage FormInjectable
    RouteInjection
    Strength1mg/0.2ml
    Market StatusPrescription
    CompanyTeva Pharms Usa; Sandoz; Sun Pharma Global