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    Triptorelin Acetate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    PATENTS & EXCLUSIVITIES

    REF. STANDARDS & IMPURITIES

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    $ API Ref.Price (USD/KG) : 193,359Xls

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    2D Structure
    Also known as: 140194-24-7, 140194-24-7 (acetate), Bim 21003, Wy 42422, Wy 42462, Ay 25650
    Molecular Formula
    C66H86N18O15
    Molecular Weight
    1371.5  g/mol
    InChI Key
    HPPONSCISKROOD-OYLNGHKZSA-N
    A potent synthetic long-acting agonist of GONADOTROPIN-RELEASING HORMONE with D-tryptophan substitution at residue 6.
    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)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-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/C64H82N18O13.C2H4O2/c1-34(2)23-46(56(88)75-45(13-7-21-69-64(66)67)63(95)82-22-8-14-52(82)62(94)72-31-53(65)85)76-58(90)48(25-36-28-70-42-11-5-3-9-40(36)42)78-57(89)47(24-35-15-17-39(84)18-16-35)77-61(93)51(32-83)81-59(91)49(26-37-29-71-43-12-6-4-10-41(37)43)79-60(92)50(27-38-30-68-33-73-38)80-55(87)44-19-20-54(86)74-44;1-2(3)4/h3-6,9-12,15-18,28-30,33-34,44-52,70-71,83-84H,7-8,13-14,19-27,31-32H2,1-2H3,(H2,65,85)(H,68,73)(H,72,94)(H,74,86)(H,75,88)(H,76,90)(H,77,93)(H,78,89)(H,79,92)(H,80,87)(H,81,91)(H4,66,67,69);1H3,(H,3,4)/t44-,45-,46-,47-,48+,49-,50-,51-,52-;/m0./s1
    2.1.3 InChI Key
    HPPONSCISKROOD-OYLNGHKZSA-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=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
    CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)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 Synonyms
    2.2.1 MeSH Synonyms

    1. 6-d-tryptophan-luteinizing Hormone-releasing Factor (pig)

    2. Ay 25650

    3. Ay-25650

    4. Ay25650

    5. Cl 118532

    6. Cl-118532

    7. Cl118532

    8. D-trp-6-lh-rh

    9. Decapeptyl

    10. Decapeptyl Depot

    11. Decapeptyl Lp

    12. Decapeptyl Trimestral

    13. Embonate, Triptorelin

    14. Gnrh, Trp(6)-

    15. Lhrh, Trp(6)-

    16. Lhrh, Tryptophyl(6)-

    17. Pamoate, Triptorelin

    18. Trelstar

    19. Trimestral, Decapeptyl

    20. Triptorelin

    21. Triptorelin Embonate

    22. Triptorelin Pamoate

    23. Wy 42462

    24. Wy-42462

    25. Wy42462

    2.2.2 Depositor-Supplied Synonyms

    1. 140194-24-7

    2. 140194-24-7 (acetate)

    3. Bim 21003

    4. Wy 42422

    5. Wy 42462

    6. Ay 25650

    7. Pglu-his-trp-ser-tyr-d-trp-leu-arg-pro-gly-nh2 Acetate

    8. Decapeptyl (tn)

    9. (s)-n-(2-amino-2-oxoethyl)-1-(((s)-5-oxopyrrolidine-2-carbonyl)-l-histidyl-l-tryptophyl-l-seryl-l-tyrosyl-d-tryptophyl-l-leucyl-l-arginyl)pyrrolidine-2-carboxamide Acetate

    10. Unii-43ofw291r9

    11. Bim 21003c

    12. 43ofw291r9

    13. Dtxsid301033427

    14. 6-d-tryptophan Luteinizing Hormone-releasing Factor (swine) Acetate

    15. Hy-12551a

    16. Akos030485974

    17. Cs-0012388

    18. Propan-2-yl]-5-oxopyrrolidine-2-carboxamide

    19. D08649

    20. J-007369

    21. Q27258659

    22. Luteinizing Hormone-releasing Factor (swine), 6-d-tryptophan-, Acetate (1:1)

    23. 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-4-yl)-1-oxo

    24. Acetic Acid;(2s)-n-[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2r)-1-[[(2s)-1-[[(2s)-1-[(2s)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-

    2.3 Create Date
    2008-12-10
    3 Chemical and Physical Properties
    Molecular Weight 1371.5 g/mol
    Molecular Formula C66H86N18O15
    Hydrogen Bond Donor Count18
    Hydrogen Bond Acceptor Count17
    Rotatable Bond Count33
    Exact Mass1370.65200411 g/mol
    Monoisotopic Mass1370.65200411 g/mol
    Topological Polar Surface Area528 Ų
    Heavy Atom Count99
    Formal Charge0
    Complexity2750
    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 synchronisation of ovulation in weaned sows to enable a single fixed-time artificial insemination.

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Antineoplastic Agents, Hormonal

    Antineoplastic agents that are used to treat hormone-sensitive tumors. Hormone-sensitive tumors may be hormone-dependent, hormone-responsive, or both. A hormone-dependent tumor regresses on removal of the hormonal stimulus, by surgery or pharmacological block. Hormone-responsive tumors may regress when pharmacologic amounts of hormones are administered regardless of whether previous signs of hormone sensitivity were observed. The major hormone-responsive cancers include carcinomas of the breast, prostate, and endometrium; lymphomas; and certain leukemias. (From AMA Drug Evaluations Annual 1994, p2079) (See all compounds classified as Antineoplastic Agents, Hormonal.)

    Luteolytic Agents

    Chemical compounds that cause LUTEOLYSIS or degeneration of the CORPUS LUTEUM. (See all compounds classified as Luteolytic Agents.)

    5.2 ATC Code

    QH01CA97