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    Orgalutran

    FINISHED DOSAGE FORMULATIONS

    GLOBAL SALES INFORMATION

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Schembl719978, Gtpl3877, Ncgc00482546-01, Rs 26306, D 24598, D-24598
    Molecular Formula
    C80H113ClN18O13
    Molecular Weight
    1570.3  g/mol
    InChI Key
    GJNXBNATEDXMAK-RXXWGPEVSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-[bis(ethylamino)methylideneamino]hexanoyl]amino]-4-methylpentanoyl]amino]-6-[bis(ethylamino)methylideneamino]hexanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
    2.1.2 InChI
    InChI=1S/C80H113ClN18O13/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(112)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-19-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)63(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54/h13-14,19,21-23,27-37,42,47,49-50,60-68,100,102H,9-12,15-18,20,24-26,38-41,43-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)(H2,84,85,88)(H2,86,87,89)/t50-,60-,61+,62+,63?,64-,65+,66+,67-,68?/m1/s1
    2.1.3 InChI Key
    GJNXBNATEDXMAK-RXXWGPEVSA-N
    2.1.4 Canonical SMILES
    CCNC(=NCCCCC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN=C(NCC)NCC)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CN=CC=C3)NC(=O)C(CC4=CC=C(C=C4)Cl)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C)NCC
    2.1.5 Isomeric SMILES
    CCNC(=NCCCC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)N1CCCC1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@@H](CC2=CC=C(C=C2)O)NC(=O)[C@@H](CO)NC(=O)[C@H](CC3=CN=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)Cl)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C)NCC
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Antagon

    2. Ganirelix

    3. Ganirelix Acetate

    4. Ganirelix Diacetate

    5. Gnrh, N-ac-2-nal(1)-4-cl-phe(2)-3-pal(3)-et2-harg(6,8)-alanh2(10)-

    6. Lhrh, N-acetyl-2-naphthylalanyl(1)-(4-chlorophenylalanyl)(2)-3-pyrdinylalanyl(3)-diethylhomoarginyl(6,8)-alaninamide(10)-

    7. Lhrh,n-ac-2-nal(1)-4-cl-phe(2)-3-pal(3)-et2-harg(6,8)-alanh2(10)-

    8. N-ac-(2-naphthyl)ala-2-(4-cl-phe)-3-(3-pyridinyl-ala)-6,8-et2-harg-10-alanh2-lhrh

    9. N-acetyl-3-(2-naphthyl)-d-alanyl-p-chloro-d-phenylalanyl-3-(3-pyridyl)-d-alanyl-l-seryl-l-tyrosyl-n(sup 6)-(n,n'-diethylamidino)-d-lysyl-l-leucyl-n(sup 6)-(n,n'-diethylamidino)-l-lysyl-l-prolyl-d-alaninamide Diacetate (salt)

    10. Orgalutran

    11. Rs 26306

    12. Rs-26306

    13. Rs-26306-298

    2.2.2 Depositor-Supplied Synonyms

    1. Schembl719978

    2. Gtpl3877

    3. Ncgc00482546-01

    4. Rs 26306

    5. D 24598

    6. D-24598

    7. Q27077771

    2.3 Create Date
    2007-07-03
    3 Chemical and Physical Properties
    Molecular Weight 1570.3 g/mol
    Molecular Formula C80H113ClN18O13
    XLogP35.4
    Hydrogen Bond Donor Count16
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count48
    Exact Mass1568.8423034 g/mol
    Monoisotopic Mass1568.8423034 g/mol
    Topological Polar Surface Area452 Ų
    Heavy Atom Count112
    Formal Charge0
    Complexity3030
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 2  
    Drug NameGanirelix acetate
    Drug LabelGanirelix Acetate Injection is a synthetic decapeptide with high antagonistic activity against naturally occurring gonadotropin-releasing hormone (GnRH). Ganirelix Acetate is derived from native GnRH with substitutions of amino acids at positions 1,...
    Active IngredientGanirelix acetate
    Dosage FormInjectable
    RouteInjection
    Strengtheq 250mcg base/0.5ml
    Market StatusPrescription
    CompanyOrganon Usa

    2 of 2  
    Drug NameGanirelix acetate
    Drug LabelGanirelix Acetate Injection is a synthetic decapeptide with high antagonistic activity against naturally occurring gonadotropin-releasing hormone (GnRH). Ganirelix Acetate is derived from native GnRH with substitutions of amino acids at positions 1,...
    Active IngredientGanirelix acetate
    Dosage FormInjectable
    RouteInjection
    Strengtheq 250mcg base/0.5ml
    Market StatusPrescription
    CompanyOrganon Usa

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Hormone Antagonists

    Chemical substances which inhibit the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites. (See all compounds classified as Hormone Antagonists.)