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    Chemistry

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    Also known as: 145781-92-6, Fertilan, Zoladex, Goserelin (acetate), Goserelin acetate [jan], 6yuu2pv0u8
    Molecular Formula
    C61H88N18O16
    Molecular Weight
    1329.5  g/mol
    InChI Key
    IKDXDQDKCZPQSZ-JHYYTBFNSA-N
    FDA UNII
    6YUU2PV0U8
    Goserelin Acetate
    A synthetic long-acting agonist of GONADOTROPIN-RELEASING HORMONE. Goserelin is used in treatments of malignant NEOPLASMS of the prostate, uterine fibromas, and metastatic breast cancer.
    1 2D Structure

    Goserelin Acetate

    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-[(carbamoylamino)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-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/C59H84N18O14.C2H4O2/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38;1-2(3)4/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90);1H3,(H,3,4)/t38-,39-,40-,41-,42-,43-,44-,45+,46-;/m0./s1
    2.1.3 InChI Key
    IKDXDQDKCZPQSZ-JHYYTBFNSA-N
    2.1.4 Canonical SMILES
    CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NNC(=O)N)NC(=O)C(COC(C)(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
    2.1.5 Isomeric SMILES
    CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    6YUU2PV0U8
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acetate, Goserelin

    2. Goserelin

    3. Ici 118630

    4. Ici-118630

    5. Ici118630

    6. Zoladex

    2.3.2 Depositor-Supplied Synonyms

    1. 145781-92-6

    2. Fertilan

    3. Zoladex

    4. Goserelin (acetate)

    5. Goserelin Acetate [jan]

    6. 6yuu2pv0u8

    7. Dsstox_cid_26736

    8. Dsstox_rid_81865

    9. Dsstox_gsid_46736

    10. 1-9-luteinizing Hormone-releasing Factor (swine), 6-(o-(1,1-dimethylethyl)-d-serine)-, 2-(aminocarbonyl)hydrazide, Acetate (salt)

    11. Cas-145781-92-6

    12. Ici-118630 Acetate

    13. Unii-6yuu2pv0u8

    14. Novgos

    15. Zoladex La

    16. Zoladex (tn)

    17. Ncgc00167588-02

    18. Ncgc00183275-01

    19. Schembl6094

    20. Goserelin Acetate (jan/usp)

    21. Chembl1200501

    22. Dtxsid9046736

    23. Goserelin Acetate [vandf]

    24. Goserelin Acetate [mart.]

    25. Glxc-26187

    26. Goserelin Acetate [usp-rs]

    27. Goserelin Acetate [who-dd]

    28. Tox21_112579

    29. Tox21_112937

    30. Bdbm50247974

    31. Hy-13673a

    32. Ici118630

    33. Mfcd01747329

    34. Cs-4509

    35. Goserelin Acetate [orange Book]

    36. (d-ser(tbu)6,azagly10)-lhrh Acetate

    37. Goserelin Acetate [usp Monograph]

    38. D00573

    39. 781g926

    40. Goserelin Acetate, >=99% (hplc), White Powder

    41. Q27265738

    42. Goserelin, European Pharmacopoeia (ep) Reference Standard

    43. H-pyr-his-trp-ser-tyr-d-ser(tbu)-leu-arg-pro-nhnhconh2 Acoh

    44. Goserelin Acetate, United States Pharmacopeia (usp) Reference Standard

    45. Goserelin For Nmr Identification, European Pharmacopoeia (ep) Reference Standard

    46. 6-[o-(1,1-dimethylethyl)-d-serine]-1-9-luteinizing Hormone-releasing Factor (swine) 2-(aminocarbonyl)hydrazide Acetate (salt)

    2.4 Create Date
    2007-05-07
    3 Chemical and Physical Properties
    Molecular Weight 1329.5 g/mol
    Molecular Formula C61H88N18O16
    Hydrogen Bond Donor Count18
    Hydrogen Bond Acceptor Count18
    Rotatable Bond Count32
    Exact Mass1328.66256879 g/mol
    Monoisotopic Mass1328.66256879 g/mol
    Topological Polar Surface Area533 Ų
    Heavy Atom Count95
    Formal Charge0
    Complexity2590
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 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.)

    4.2 FDA Pharmacological Classification
    4.2.1 Pharmacological Classes
    Gonadotropin Releasing Hormone Receptor Agonists [MoA]; Gonadotropin Releasing Hormone Receptor Agonist [EPC]

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    Bachem AG

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    About the Company : With more than 50 years of experience and expertise, Bachem provides products for research, clinical development and commercial application to pharmaceutical and biotechnology comp...

    With more than 50 years of experience and expertise, Bachem provides products for research, clinical development and commercial application to pharmaceutical and biotechnology companies worldwide, providing a wide range of services. Over the years, Bachem has established itself as a leading, innovation-driven company specializing in the development and manufacture of peptides and oligonucleotides. The company is headquartered in Switzerland and has offices in Europe, the US and Asia. The company is listed on the SIX Swiss Exchange.
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    Aspen API

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    About the Company : Aspen API is the cooperative entity formed by Aspen Oss in the Netherlands and Fine Chemicals Corporation in South Africa. With quality, compliance, and teamwork at its core, Aspen...

    Aspen API is the cooperative entity formed by Aspen Oss in the Netherlands and Fine Chemicals Corporation in South Africa. With quality, compliance, and teamwork at its core, Aspen API works tirelessly to deliver top-quality APIs to clients worldwide. Aspen API has a portfolio of over 58 high-quality APIs, including high potency, oncology, peptides, narcotics, analgesics, botanical extractions, and biochemicals. Aspen API places a strong emphasis on sustainability. It employs eco-friendly technologies and solvents in its chemical processes, ensuring responsible and environmentally conscious manufacturing.
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    LGM Pharma

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    About the Company : LGM Pharma is a global leader in sourcing hard-to-find APIs and intermediates for the pharmaceutical and biotech industries. LGM is also a full service CDMO providing formulation, ...

    LGM Pharma is a global leader in sourcing hard-to-find APIs and intermediates for the pharmaceutical and biotech industries. LGM is also a full service CDMO providing formulation, analytical method development and testing, and commercial manufacturing. LGM Pharma offers custom API synthesis, analytical development, and regulatory services. With a network of over 300 accredited CGMP manufacturing partners, LGM provides unparalleled supply chain security. And, with over 100,000 square feet of FDA-inspected cGMP manufacturing and warehouse capacity, LGM Pharma provides a one-stop solution for solid dose, powder, semi-solid and liquid drugs.
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    Omgene Life Sciences Pvt. Ltd

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    About the Company : Omgene Life Sciences Private Limited is an R&D-driven biopharmaceutical company specializing in biopharmaceuticals, peptides, semi-synthetic, and synthetic actives. As a vertically