Lexidronam pentasodium

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  • Identifiers

    CAS number
    7651-99-2

    Molecular formula
    C6H15N2Na5O12P4

    SMILES
    C(CN(CP(=O)(O)[O-])CP(=O)([O-])[O-])N(CP(=O)(O)[O-])CP(=O)(O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 74.56%
    Sweet 28.83%
    Savory 19.38%
    Fishy 16.99%
    Clean 15.65%
    Alcoholic 14.84%
    Cooling 14.33%
    Oily 13.36%
    Bitter 12.84%
    Cooked 11.57%

     

    Flavor
    Odorless 66.69%
    Bland 31.68%
    Mild 30.92%
    Bitter 22.18%
    Very mild 21.36%
    Sweet-like 20.83%
    Yeast 20.63%
    Faint 20.6%
    Mousy 18.1%
    Rotten 18.09%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    -5.62 (strong acid)

    Molecular weight
    546.03 g/mol

    Flash point

    • 441.59 ˚C est.

  • Synonyms

    • EDTMP pentasodium salt
    • Lexidronam pentasodium salt
    • lexidronam pentasodium
    • Ethylenediamine tetra(methylenephosphonic acid) pentasodium salt
    • 2ZYX2V82AD
    • EINECS 231-615-4
    • Phosphonic acid, [1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-, pentasodium salt
    • Ethylenediaminetetramethylenephosphonic acid, pentasodium salt
    • DTXSID4064763
    • Pentasodium Ethylenediamine Tetramethylene Phosphonate
    • Pentasodium trihydrogen (ethane-1,2-diylbis(nitrilobis(methylene)))tetrakisphosphonate
    • Phosphonic acid, (1,2-ethanediylbis(nitrilobis(methylene)))tetrakis-, pentasodium salt
    • Phosphonic acid, P,P',P'',P'''-(1,2-ethanediylbis(nitrilobis(methylene)))tetrakis-, sodium salt (1:5)
    • PENTASODIUM ETHYLENEDIAMINETETRA(METHYLENEPHOSPHONATE)
    • pentasodium trihydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
    • Phosphonic acid, P,P',P'',P'''-[1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-, sodium salt (1:5)
    • RefChem:799052
    • DTXCID3047897
    • PENTASODIUM ETHYLENEDIAMINE TETRAMETHYLENE PHOSPHONATE [INCI]
    • 7651-99-2
    • pentasodium (ethylenediamine)tetramethylenephosphonate
    • pentasodium;[2-[bis[[hydroxy(oxido)phosphoryl]methyl]amino]ethyl-(phosphonatomethyl)amino]methyl-hydroxyphosphinate
    • MFCD03095541
    • UNII-2ZYX2V82AD
    • SODIUM EDTMP
    • SCHEMBL1838681
    • AKOS025311031
    • Q27255875
    • Pentasodium trihydrogen[ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
    • Pentasodium ({(2-{bis[(hydroxyphosphinato)methyl]amino}ethyl)[(hydroxyphosphinato)methyl]amino}methyl)phosphonate
    • 7651-99-2

  • Applications

    Lexidronam pentasodium (CAS 7651-99-2) is a bone-seeking chelating ligand used primarily in nuclear medicine radiopharmaceuticals, notably forming the Samarium-153 lexidronam complex for palliative treatment of cancer-related bone pain. The EDTMP-based ligand class can bind a range of radiometals and is actively evaluated for bone imaging and diagnostic-therapeutic radiopharmaceutical development. It also serves as a component in radiopharmaceutical kit formulations enabling on-site preparation of bone-targeting radiopharmaceuticals in clinical settings. In biomedical research and development, it is used as a chelation scaffold to study radiometal biodistribution, bone uptake, and theranostic approaches.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.3
    methanol 1.96
    isopropanol 0.07
    water 4.76
    ethyl acetate 0.07
    n-propanol 0.15
    acetone 0.24
    n-butanol 0.08
    acetonitrile 0.08
    DMF 8.16
    toluene 0.07
    isobutanol 0.06
    1,4-dioxane 0.04
    methyl acetate 0.09
    THF 0.26
    2-butanone 0.17
    n-pentanol 0.03
    sec-butanol 0.06
    n-hexane 0.01
    ethylene glycol 1.46
    NMP 13.09
    cyclohexane 0.01
    DMSO 13.7
    n-butyl acetate 0.09
    n-octanol 0.03
    chloroform 0.04
    n-propyl acetate 0.04
    acetic acid 0.99
    dichloromethane 0.08
    cyclohexanone 0.25
    propylene glycol 1.06
    isopropyl acetate 0.05
    DMAc 4.81
    2-ethoxyethanol 0.35
    isopentanol 0.03
    n-heptane 0.02
    ethyl formate 0.2
    1,2-dichloroethane 0.07
    n-hexanol 0.05
    2-methoxyethanol 2.19
    isobutyl acetate 0.02
    tetrachloromethane 0.01
    n-pentyl acetate 0.04
    transcutol 0.7
    n-heptanol 0.05
    ethylbenzene 0.02
    MIBK 0.07
    2-propoxyethanol 0.73
    tert-butanol 0.05
    MTBE 0.02
    2-butoxyethanol 0.32
    propionic acid 0.4
    o-xylene 0.08
    formic acid 10.67
    diethyl ether 0.04
    m-xylene 0.06
    p-xylene 0.02
    chlorobenzene 0.02
    dimethyl carbonate 0.39
    n-octane 0.0
    formamide 11.25
    cyclopentanone 0.64
    2-pentanone 0.14
    anisole 0.04
    cyclopentyl methyl ether 0.16
    gamma-butyrolactone 0.89
    1-methoxy-2-propanol 1.14
    pyridine 0.19
    3-pentanone 0.17
    furfural 1.71
    n-dodecane 0.0
    diethylene glycol 1.63
    diisopropyl ether 0.01
    tert-amyl alcohol 0.06
    acetylacetone 0.29
    n-hexadecane 0.0
    acetophenone 0.12
    methyl propionate 0.25
    isopentyl acetate 0.05
    trichloroethylene 0.11
    n-nonanol 0.03
    cyclohexanol 0.07
    benzyl alcohol 0.08
    2-ethylhexanol 0.04
    isooctanol 0.03
    dipropyl ether 0.08
    1,2-dichlorobenzene 0.03
    ethyl lactate 0.24
    propylene carbonate 0.28
    n-methylformamide 3.8
    2-pentanol 0.04
    n-pentane 0.01
    1-propoxy-2-propanol 0.51
    1-methoxy-2-propyl acetate 0.31
    2-(2-methoxypropoxy) propanol 0.37
    mesitylene 0.04
    ε-caprolactone 0.21
    p-cymene 0.04
    epichlorohydrin 0.26
    1,1,1-trichloroethane 0.02
    2-aminoethanol 1.47
    morpholine-4-carbaldehyde 2.55
    sulfolane 6.54
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.07
    n-hexyl acetate 0.04
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.35
    sec-butyl acetate 0.02
    tert-butyl acetate 0.06
    decalin 0.0
    glycerin 5.42
    diglyme 0.69
    acrylic acid 0.95
    isopropyl myristate 0.02
    n-butyric acid 0.27
    acetyl acetate 0.06
    di(2-ethylhexyl) phthalate 0.05
    ethyl propionate 0.07
    nitromethane 1.47
    1,2-diethoxyethane 0.05
    benzonitrile 0.05
    trioctyl phosphate 0.04
    1-bromopropane 0.03
    gamma-valerolactone 1.28
    n-decanol 0.02
    triethyl phosphate 0.1
    4-methyl-2-pentanol 0.02
    propionitrile 0.07
    vinylene carbonate 0.35
    1,1,2-trichlorotrifluoroethane 1.76
    DMS 0.11
    cumene 0.01
    2-octanol 0.02
    2-hexanone 0.05
    octyl acetate 0.03
    limonene 0.07
    1,2-dimethoxyethane 0.27
    ethyl orthosilicate 0.08
    tributyl phosphate 0.05
    diacetone alcohol 0.3
    N,N-dimethylaniline 0.09
    acrylonitrile 0.21
    aniline 0.14
    1,3-propanediol 0.59
    bromobenzene 0.02
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.09
    2-methyl-cyclohexyl acetate 0.07
    tetrabutyl urea 0.15
    diisobutyl methanol 0.03
    2-phenylethanol 0.09
    styrene 0.02
    dioctyl adipate 0.04
    dimethyl sulfate 2.1
    ethyl butyrate 0.11
    methyl lactate 1.43
    butyl lactate 0.21
    diethyl carbonate 0.06
    propanediol butyl ether 0.34
    triethyl orthoformate 0.09
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 0.26
    morpholine 0.15
    tert-butylamine 0.02
    n-dodecanol 0.01
    dimethoxymethane 1.18
    ethylene carbonate 0.16
    cyrene 0.72
    2-ethoxyethyl acetate 0.09
    2-ethylhexyl acetate 0.04
    1,2,4-trichlorobenzene 0.04
    4-methylpyridine 0.15
    dibutyl ether 0.02
    2,6-dimethyl-4-heptanol 0.03
    DEF 0.55
    dimethyl isosorbide 0.73
    tetrachloroethylene 0.1
    eugenol 0.33
    triacetin 0.14
    span 80 0.23
    1,4-butanediol 0.13
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.02
    methyl formate 1.85
    2-methyl-1-butanol 0.05
    n-decane 0.0
    butyronitrile 0.05
    3,7-dimethyl-1-octanol 0.02
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.11
    tetrahydropyran 0.04
    tert-amyl methyl ether 0.04
    2,5,8-trioxanonane 0.52
    1-hexene 0.01
    2-isopropoxyethanol 0.1
    2,2,2-trifluoroethanol 0.9
    methyl butyrate 0.1

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction