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    deslorelin acetate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 175,147Xls

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    2D Structure
    Also known as: 82318-06-7, 82318-06-7 (acetate), 679007nr5c, Deslorelin monoacetate, Oxopyrrolidine-2-carboxamide, (s)-1-((3s,6s,9s,12s,15r,18s,21s)-3-((1h-imidazol-5-yl)methyl)-6,15-bis((1h-indol-3-yl)methyl)-21-(3-((diaminomethylene)amino)propyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-1,4,7,10,13,16,19-heptaoxo-1-((s)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-n-ethylpyrrolidine-2-carboxamide acetate
    Molecular Formula
    C66H87N17O14
    Molecular Weight
    1342.5  g/mol
    InChI Key
    LYCYLGFSIXIXAB-NUZRHMIVSA-N
    FDA UNII
    679007NR5C
    Deslorelin Acetate is a synthetic nonapeptide analogue of the natural gonadotrophin releasing hormone (GnRH) with potential antineoplastic activity. Deslorelin binds to and activates pituitary gonadotropin releasing hormone (GnRH) receptors. Continuous, prolonged administration of goserelin in males results in pituitary GnRH receptor desensitization and inhibition of pituitary secretion of follicle stimulating hormone (FSH) and luteinizing hormone (LH), leading to a significant decline in testosterone production; in females, prolonged administration results in a decrease in estradiol production. (NCI04)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    acetic acid;(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-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
    2.1.2 InChI
    InChI=1S/C64H83N17O12.C2H4O2/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45;1-2(3)4/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69);1H3,(H,3,4)/t45-,46-,47-,48-,49+,50-,51-,52-,53-;/m0./s1
    2.1.3 InChI Key
    LYCYLGFSIXIXAB-NUZRHMIVSA-N
    2.1.4 Canonical SMILES
    CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=CNC3=CC=CC=C32)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
    2.1.5 Isomeric SMILES
    CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    679007NR5C
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6-trp-10-n-et-glynh2-lhrh

    2. D-trp(6)-n-et-d-glynh2(10)-lhrh

    3. Deslorelin

    4. Gnrh, Trp(6)-n-et-glynh2(10)-

    5. Lhrh, Trp(6)-n-et-glynh2(10)-

    6. Lhrh, Tryptophyl(6)-n-ethylglycinamide(10)-

    7. Ovuplant

    8. Somagard

    2.3.2 Depositor-Supplied Synonyms

    1. 82318-06-7

    2. 82318-06-7 (acetate)

    3. 679007nr5c

    4. Deslorelin Monoacetate

    5. Oxopyrrolidine-2-carboxamide

    6. (s)-1-((3s,6s,9s,12s,15r,18s,21s)-3-((1h-imidazol-5-yl)methyl)-6,15-bis((1h-indol-3-yl)methyl)-21-(3-((diaminomethylene)amino)propyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-1,4,7,10,13,16,19-heptaoxo-1-((s)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-n-ethylpyrrolidine-2-carboxamide Acetate

    7. Ncgc00167516-01

    8. Unii-679007nr5c

    9. 1h-indol-3-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-4-yl)-1-oxopropan-2-yl]-5-

    10. Acetic Acid;(2s)-n-[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2r)-1-[[(2s)-1-[[(2s)-5-carbamimidamido-1-[(2s)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(

    11. Suprelorin

    12. Bachem 9022 Acetate

    13. Dsstox_cid_26683

    14. Dsstox_rid_81818

    15. Dsstox_gsid_46683

    16. Schembl205614

    17. Deslorelin Acetate [mi]

    18. Chembl2357192

    19. Dtxsid1046683

    20. Deslorelin Acetate [who-dd]

    21. Tox21_112514

    22. Mfcd09842868

    23. Akos030485982

    24. A73d656

    25. Deslorelin Acetate [green Book]

    26. Cas-82318-06-7

    27. Deslorelin Acetate(57773-65-6 Free Base)

    28. Deslorelin Acetate [ema Epar Veterinary]

    29. Q27264098

    30. (des-gly10,d-trp6,pro-nhet9)-lhrh High Acetate Salt

    31. Deslorelin Acetate 100 Microg/ml In Acetonitrile:methanol

    32. (d-trp(sup 6),des-gly(sup 10))-lh-rh Ethylamide Acetate

    33. 5-oxo-l-prolyl-l-histidyl-l-tryptophyl-l-seryl-l-tyrosyl-d-tryptophyl-l-leucyl-l-arginyl-n-ethyl-l-prolinamide Acetate

    34. 6-d-tryptophan-9-(n-ethyl-l-prolinamide)-1-9-luteinizing Hormone-releasing Factor (swine) Acetate

    35. 6-d-tryptophan-9-(n-ethyl-l-prolinamide)-1-9-luteinizing Hormone-releasing Factor (swine) Monoacetate

    36. L-prolinamide, 5-oxo-l-prolyl-l-histidyl-l-tryptophyl-l-seryl-l-tyrosyl-d-tryptophyl-l-leucyl-l-arginyl-n-ethyl-,?acetate (1:1)

    2.4 Create Date
    2008-12-10
    3 Chemical and Physical Properties
    Molecular Weight 1342.5 g/mol
    Molecular Formula C66H87N17O14
    Hydrogen Bond Donor Count17
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count32
    Exact Mass1341.66184052 g/mol
    Monoisotopic Mass1341.66184052 g/mol
    Topological Polar Surface Area485 Ų
    Heavy Atom Count97
    Formal Charge0
    Complexity2640
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    For the induction of temporary infertility in healthy, entire, sexually mature male dogs and ferrets.

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

    5.2 ATC Code

    QH01CA93