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    Technical details about 177Lu-PNT2002, learn more about the structure, uses, toxicity, action, side effects and more

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    177Lu-PNT2002

    DEVELOPMENTS

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as: Lu-177 psma i&t, G5b860b0g1, Lutetium (177lu) zadavotide guraxetan [inn], 2447131-70-4, Unii-g5b860b0g1, Lutetium lu 177 psma i&t
    Molecular Formula
    C63H89ILuN11O23
    Molecular Weight
    1672.3  g/mol
    InChI Key
    KRNMXHUBVUCLIL-KMPGELEWSA-K
    FDA UNII
    G5B860B0G1
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-[[(1S)-1-carboxylato-5-[[8-[[(5R)-5-carboxylato-5-[[(2R)-2-[[(2R)-2-[[(4R)-4-carboxylato-4-[4,7,10-tris(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]pentyl]amino]-8-oxooctanoyl]amino]pentyl]carbamoylamino]pentanedioate;hydron;lutetium-177(3+)
    2.1.2 InChI
    InChI=1S/C63H92IN11O23.Lu/c64-42-34-41(18-21-49(42)76)36-46(67-52(79)22-20-48(62(96)97)75-32-30-73(38-55(84)85)28-26-72(37-54(82)83)27-29-74(31-33-75)39-56(86)87)57(88)69-47(35-40-12-4-3-5-13-40)58(89)68-43(59(90)91)14-8-10-24-65-50(77)16-6-1-2-7-17-51(78)66-25-11-9-15-44(60(92)93)70-63(98)71-45(61(94)95)19-23-53(80)81;/h3-5,12-13,18,21,34,43-48,76H,1-2,6-11,14-17,19-20,22-33,35-39H2,(H,65,77)(H,66,78)(H,67,79)(H,68,89)(H,69,88)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H2,70,71,98);/q;+3/p-3/t43-,44+,45+,46-,47-,48-;/m1./s1/i;1+2
    2.1.3 InChI Key
    KRNMXHUBVUCLIL-KMPGELEWSA-K
    2.1.4 Canonical SMILES
    [H+].[H+].[H+].[H+].[H+].C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CCC(=O)NC(CC2=CC(=C(C=C2)O)I)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCCNC(=O)CCCCCCC(=O)NCCCCC(C(=O)[O-])NC(=O)NC(CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])CC(=O)[O-].[Lu+3]
    2.1.5 Isomeric SMILES
    [H+].[H+].[H+].[H+].[H+].C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])[C@H](CCC(=O)N[C@H](CC2=CC(=C(C=C2)O)I)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@H](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@@H](C(=O)[O-])NC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])CC(=O)[O-].[177Lu+3]
    2.2 Other Identifiers
    2.2.1 UNII
    G5B860B0G1
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Lu-177 Psma I&t

    2. G5b860b0g1

    3. Lutetium (177lu) Zadavotide Guraxetan [inn]

    4. 2447131-70-4

    5. Unii-g5b860b0g1

    6. Lutetium Lu 177 Psma I&t

    7. Lutetate(5-)-177lu, (n-((4r)-4-(carboxy-.kappa.o)-4-(4,7,10-tris((carboxy-.kappa.o)methyl)-1,4,7,10-tetraazacyclododec-1-yl-.kappa.n1,.kappa.n4,.kappa.n7,.kappa.n10)-1-oxobutyl)-3-iodo-d-tyrosyl-d-phenylalanyl-n6-(8-(((5s)-5-carboxy-5-(((((1s)-1,3-dicarboxypropyl)amino)carbonyl)amino)pentyl)amino)-1,8-dioxooctyl)-d-lysinato(8-))-, Hydrogen (1:5)

    2.4 Create Date
    2021-09-16
    3 Chemical and Physical Properties
    Molecular Weight 1672.3 g/mol
    Molecular Formula C63H89ILuN11O23
    Hydrogen Bond Donor Count13
    Hydrogen Bond Acceptor Count27
    Rotatable Bond Count37
    Exact Mass1671.46151 g/mol
    Monoisotopic Mass1671.46151 g/mol
    Topological Polar Surface Area541 Ų
    Heavy Atom Count99
    Formal Charge0
    Complexity2550
    Isotope Atom Count1
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count7
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