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    Tetulomab Tetraxetan Lu-177

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    DIGITAL CONTENT

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    2D Structure
    Also known as: Tetulomab tetraxetan lu-177, 6qu69vig75, Db12227, Lysine .episilon.carbamothiobenzyl-2-tetraxan
    Molecular Formula
    C30H47N7O10S
    Molecular Weight
    697.8  g/mol
    InChI Key
    RMJFCRKHOJOLIN-CGAIIQECSA-N
    FDA UNII
    6QU69VIG75
    Betalutin has been used in trials studying the treatment of Non-Hodgkin Lymphoma and Relapsed, Diffuse Large B-cell Lymphoma.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-amino-6-[[4-[[1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]hexanoic acid
    2.1.2 InChI
    InChI=1S/C30H47N7O10S/c31-24(29(46)47)3-1-2-8-32-30(48)33-22-6-4-21(5-7-22)15-23-16-36(19-27(42)43)12-11-34(17-25(38)39)9-10-35(18-26(40)41)13-14-37(23)20-28(44)45/h4-7,23-24H,1-3,8-20,31H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H2,32,33,48)/t23?,24-/m0/s1
    2.1.3 InChI Key
    RMJFCRKHOJOLIN-CGAIIQECSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN(C(CN(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)NC(=S)NCCCCC(C(=O)O)N)CC(=O)O)CC(=O)O
    2.1.5 Isomeric SMILES
    C1CN(CCN(C(CN(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)NC(=S)NCCCC[C@@H](C(=O)O)N)CC(=O)O)CC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    6QU69VIG75
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 177lu-dota-hh1

    2. 177lu-tetraxetan-tetulomab

    3. 177lu-tetulomab

    4. Tetulomab Tetraxetan Lu-177

    2.3.2 Depositor-Supplied Synonyms

    1. Tetulomab Tetraxetan Lu-177

    2. 6qu69vig75

    3. Db12227

    4. Lysine .episilon.carbamothiobenzyl-2-tetraxan

    2.4 Create Date
    2017-10-31
    3 Chemical and Physical Properties
    Molecular Weight 697.8 g/mol
    Molecular Formula C30H47N7O10S
    XLogP3-11.5
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count17
    Exact Mass697.31051190 g/mol
    Monoisotopic Mass697.31051190 g/mol
    Topological Polar Surface Area282 Ų
    Heavy Atom Count48
    Formal Charge0
    Complexity1080
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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