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    Technical details about Urofollitropin, learn more about the structure, uses, toxicity, action, side effects and more

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    Urofollitropin

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    2D Structure
    1. Also known as: Urofollitropin, (2r)-1-[(4s,7s,10s,16r,19s)-19-amino-7-(2-amino-2-oxoethyl)-13-[(2r)-butan-2-yl]-10-[(1s)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-n-[(2r)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide, 26995-91-5, (4-threonine)oxytocin, 4-(l-threonine)oxytocin, 1,2-dithia-5,8,11,14,17-penaazacycloeicosane, cyclic peptide deriv.
    Molecular Formula
    C42H65N11O12S2
    Molecular Weight
    980.2  g/mol
    InChI Key
    ZDRRIRUAESZNIH-JLSAMJFVSA-N
    A protein extract of human menopausal urine in which LUTEINIZING HORMONE has been partially or completely removed. Urofollitropin represents FOLLICLE STIMULATING HORMONE from the urine.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-1-[(4S,7S,10S,16R,19S)-19-amino-7-(2-amino-2-oxoethyl)-13-[(2R)-butan-2-yl]-10-[(1S)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
    2.1.2 InChI
    InChI=1S/C42H65N11O12S2/c1-6-21(4)33-40(63)52-34(22(5)54)41(64)49-28(16-31(44)56)37(60)50-29(19-67-66-18-25(43)35(58)47-27(38(61)51-33)15-23-9-11-24(55)12-10-23)42(65)53-13-7-8-30(53)39(62)48-26(14-20(2)3)36(59)46-17-32(45)57/h9-12,20-22,25-30,33-34,54-55H,6-8,13-19,43H2,1-5H3,(H2,44,56)(H2,45,57)(H,46,59)(H,47,58)(H,48,62)(H,49,64)(H,50,60)(H,51,61)(H,52,63)/t21-,22+,25-,26-,27-,28+,29-,30-,33?,34+/m1/s1
    2.1.3 InChI Key
    ZDRRIRUAESZNIH-JLSAMJFVSA-N
    2.1.4 Canonical SMILES
    CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)C(C)O
    2.1.5 Isomeric SMILES
    CC[C@@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)[C@H](C)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Bravelle

    2. Fertinex

    3. Follicle Stimulating Hormone, Human Urine

    4. Follicle-stimulating Hormone, Human Urine

    5. Follitrin

    6. High Purity, Metrodin

    7. Human Fsh, Urinary

    8. Metrodin

    9. Metrodin High Purity

    10. Metrodin Hp

    11. Neo Fertinorm

    12. Urinary Human Fsh

    13. Urofollitropin

    2.2.2 Depositor-Supplied Synonyms

    1. Urofollitropin

    2. (2r)-1-[(4s,7s,10s,16r,19s)-19-amino-7-(2-amino-2-oxoethyl)-13-[(2r)-butan-2-yl]-10-[(1s)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-n-[(2r)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

    3. 26995-91-5

    4. (4-threonine)oxytocin

    5. 4-(l-threonine)oxytocin

    6. 1,2-dithia-5,8,11,14,17-penaazacycloeicosane, Cyclic Peptide Deriv.

    2.3 Create Date
    2014-05-24
    3 Chemical and Physical Properties
    Molecular Weight 980.2 g/mol
    Molecular Formula C42H65N11O12S2
    XLogP3-1.5
    Hydrogen Bond Donor Count12
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count15
    Exact Mass979.42555890 g/mol
    Monoisotopic Mass979.42555890 g/mol
    Topological Polar Surface Area427 Ų
    Heavy Atom Count67
    Formal Charge0
    Complexity1790
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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