Gadoversetamide

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  • Identifiers

    CAS number
    131069-91-5

    Molecular formula
    C20H34GdN5O10

    SMILES
    COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

  • Odor profile

    Fragrance
    Odorless 57.07%
    Savory 34.36%
    Fishy 31.06%
    Sweet 30.19%
    Alcoholic 22.3%
    Meaty 22.15%
    Cooling 20.61%
    Oily 16.46%
    Cooked 16.21%
    Milky 16.03%

     

    Flavor
    Odorless 53.57%
    Bitter 45.18%
    Bland 33.94%
    Mild 27.56%
    Sweet-like 22.64%
    Yeast 19.79%
    Very mild 19.78%
    Roasted 19.42%
    Faint 18.82%
    Nitrile 18.82%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    1.43 (strong acid)

    Molecular weight
    661.8 g/mol

    Flash point

    • 365.72 ˚C est.

    Solubility expt.

    • Freely soluble in water

  • Synonyms

    • GADOVERSETAMIDE
    • Optimark
    • 131069-91-5
    • RLM74T3Z9D
    • CHEBI:31644
    • Optimark In Plastic Container
    • (8,11-bis(carboxymethyl)-14-(2-((2-methoxyethyl)amino)-2-oxoethyl)-6-oxo-2-oxa-5,8,11,14-tetraazahexadecan-16-oato(3-)), gadolinium
    • GADOVERSETAMIDE (MART.)
    • GADOVERSETAMIDE [MART.]
    • GADOVERSETAMIDE (USP-RS)
    • GADOVERSETAMIDE [USP-RS]
    • GADOVERSETAMIDE (USP IMPURITY)
    • GADOVERSETAMIDE [USP IMPURITY]
    • GADOVERSETAMIDE (USP MONOGRAPH)
    • GADOVERSETAMIDE [USP MONOGRAPH]
    • DTXSID10156865
    • MP-1177
    • Gadoversetamid
    • Gadoversetamida
    • Gadoversetamidum
    • Optimark (TN)
    • (N,N-Bis(2-((carboxymethyl)(((2-methoxyethyl)carbamoyl)methyl)amino)ethyl)glycinato(3-))gadolinium
    • [N,N-Bis[2-[(carboxymethyl)[[(2-methoxyethyl)carbamoyl]methyl]amino]ethyl]glycinato(3-)]gadolinium
    • gadolinium 8,11-bis(carboxylatomethyl)-14-(2-((2-methoxyethyl)amino)-2-oxoethyl)-6-oxo-2-oxa-5,8,11,14-tetraazahexadecan-16-oate
    • gadolinium 8,11-bis(carboxylatomethyl)-14-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-6-oxo-2-oxa-5,8,11,14-tetraazahexadecan-16-oate
    • Gd-DTPA-BMEA
    • (Gadoversetamide) (8,11-bis(carboxymethyl)-14-(2-((2-methoxyethyl)amino)-2-oxoethyl)-6-oxo-2-oxa-5,8,11,14-tetraazahexadecan-16-oato(3-)), gadolinium
    • GADOVERSETAMIDE [MI]
    • GADOVERSETAMIDE [INN]
    • GADOVERSETAMIDE [JAN]
    • GADOVERSETAMIDE [HSDB]
    • GADOVERSETAMIDE [USAN]
    • SCHEMBL237265
    • GADOVERSETAMIDE [VANDF]
    • DTXCID4079356
    • GADOVERSETAMIDE [WHO-DD]
    • Gadoversetamide (JAN/USP/INN)
    • V08CA06
    • GADOVERSETAMIDE [EMA EPAR]
    • EX-A5524
    • GADOVERSETAMIDE [ORANGE BOOK]
    • AKOS015896615
    • DB00538
    • 2-[bis[2-[carboxylatomethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+)
    • D01646
    • G91140
    • Q5516432
    • Gadolinium diethylenetriamine pentaacetic acid bis(methoxyethylamide)
    • (N,N-Bis(2-(((carboxymethyl)((2-methoxyethyl)carbamoyl)methyl)amino)ethyl)glycinato(3-))gadolinium

  • Applications

    Gadoversetamide (CAS 131069-91-5) is a gadolinium-based MRI contrast agent used to enhance T1-weighted images in diagnostic radiology. In clinical practice it is administered as an injectable formulation in hospitals and imaging centers to improve visualization of the brain, vasculature, and other tissues during MRI examinations. It is manufactured for pharmaceutical use and supplied to radiology departments for diagnostic injections. It is also employed in medical research and imaging studies to investigate contrast dynamics and MRI protocol performance. Its development, formulation, and quality control occur within pharmaceutical manufacturing environments under applicable regulatory frameworks, with use governed by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.19
    methanol 1.54
    isopropanol 0.03
    water 1.28
    ethyl acetate 0.02
    n-propanol 0.11
    acetone 0.07
    n-butanol 0.05
    acetonitrile 0.04
    DMF 5.08
    toluene 0.02
    isobutanol 0.04
    1,4-dioxane 0.04
    methyl acetate 0.05
    THF 0.11
    2-butanone 0.08
    n-pentanol 0.02
    sec-butanol 0.04
    n-hexane 0.0
    ethylene glycol 0.89
    NMP 13.71
    cyclohexane 0.0
    DMSO 6.15
    n-butyl acetate 0.01
    n-octanol 0.01
    chloroform 0.11
    n-propyl acetate 0.02
    acetic acid 1.32
    dichloromethane 0.19
    cyclohexanone 0.18
    propylene glycol 0.61
    isopropyl acetate 0.01
    DMAc 4.4
    2-ethoxyethanol 0.24
    isopentanol 0.02
    n-heptane 0.0
    ethyl formate 0.14
    1,2-dichloroethane 0.09
    n-hexanol 0.01
    2-methoxyethanol 1.28
    isobutyl acetate 0.01
    tetrachloromethane 0.02
    n-pentyl acetate 0.01
    transcutol 0.39
    n-heptanol 0.01
    ethylbenzene 0.01
    MIBK 0.01
    2-propoxyethanol 0.16
    tert-butanol 0.02
    MTBE 0.01
    2-butoxyethanol 0.11
    propionic acid 0.39
    o-xylene 0.03
    formic acid 11.36
    diethyl ether 0.01
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.02
    dimethyl carbonate 0.14
    n-octane 0.0
    formamide 9.84
    cyclopentanone 0.33
    2-pentanone 0.04
    anisole 0.02
    cyclopentyl methyl ether 0.04
    gamma-butyrolactone 0.74
    1-methoxy-2-propanol 0.35
    pyridine 0.17
    3-pentanone 0.05
    furfural 1.7
    n-dodecane 0.0
    diethylene glycol 0.38
    diisopropyl ether 0.0
    tert-amyl alcohol 0.03
    acetylacetone 0.06
    n-hexadecane 0.0
    acetophenone 0.07
    methyl propionate 0.1
    isopentyl acetate 0.01
    trichloroethylene 0.24
    n-nonanol 0.01
    cyclohexanol 0.04
    benzyl alcohol 0.07
    2-ethylhexanol 0.01
    isooctanol 0.01
    dipropyl ether 0.01
    1,2-dichlorobenzene 0.03
    ethyl lactate 0.11
    propylene carbonate 0.23
    n-methylformamide 3.0
    2-pentanol 0.01
    n-pentane 0.0
    1-propoxy-2-propanol 0.08
    1-methoxy-2-propyl acetate 0.05
    2-(2-methoxypropoxy) propanol 0.15
    mesitylene 0.01
    ε-caprolactone 0.19
    p-cymene 0.01
    epichlorohydrin 0.31
    1,1,1-trichloroethane 0.02
    2-aminoethanol 1.12
    morpholine-4-carbaldehyde 2.7
    sulfolane 5.06
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.04
    n-hexyl acetate 0.01
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.14
    sec-butyl acetate 0.01
    tert-butyl acetate 0.01
    decalin 0.0
    glycerin 3.1
    diglyme 0.34
    acrylic acid 1.09
    isopropyl myristate 0.0
    n-butyric acid 0.18
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.02
    ethyl propionate 0.03
    nitromethane 1.48
    1,2-diethoxyethane 0.01
    benzonitrile 0.03
    trioctyl phosphate 0.01
    1-bromopropane 0.02
    gamma-valerolactone 1.29
    n-decanol 0.01
    triethyl phosphate 0.04
    4-methyl-2-pentanol 0.0
    propionitrile 0.04
    vinylene carbonate 0.37
    1,1,2-trichlorotrifluoroethane 2.38
    DMS 0.04
    cumene 0.01
    2-octanol 0.0
    2-hexanone 0.02
    octyl acetate 0.01
    limonene 0.01
    1,2-dimethoxyethane 0.2
    ethyl orthosilicate 0.03
    tributyl phosphate 0.02
    diacetone alcohol 0.07
    N,N-dimethylaniline 0.04
    acrylonitrile 0.14
    aniline 0.07
    1,3-propanediol 0.42
    bromobenzene 0.01
    dibromomethane 0.07
    1,1,2,2-tetrachloroethane 0.19
    2-methyl-cyclohexyl acetate 0.02
    tetrabutyl urea 0.04
    diisobutyl methanol 0.0
    2-phenylethanol 0.02
    styrene 0.01
    dioctyl adipate 0.01
    dimethyl sulfate 1.11
    ethyl butyrate 0.02
    methyl lactate 0.53
    butyl lactate 0.07
    diethyl carbonate 0.02
    propanediol butyl ether 0.16
    triethyl orthoformate 0.03
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.08
    morpholine 0.13
    tert-butylamine 0.01
    n-dodecanol 0.0
    dimethoxymethane 0.38
    ethylene carbonate 0.14
    cyrene 0.63
    2-ethoxyethyl acetate 0.03
    2-ethylhexyl acetate 0.01
    1,2,4-trichlorobenzene 0.05
    4-methylpyridine 0.11
    dibutyl ether 0.01
    2,6-dimethyl-4-heptanol 0.0
    DEF 0.26
    dimethyl isosorbide 0.26
    tetrachloroethylene 0.19
    eugenol 0.12
    triacetin 0.06
    span 80 0.09
    1,4-butanediol 0.11
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.02
    methyl formate 1.32
    2-methyl-1-butanol 0.04
    n-decane 0.0
    butyronitrile 0.02
    3,7-dimethyl-1-octanol 0.0
    1-chlorooctane 0.0
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.06
    tetrahydropyran 0.02
    tert-amyl methyl ether 0.01
    2,5,8-trioxanonane 0.23
    1-hexene 0.01
    2-isopropoxyethanol 0.06
    2,2,2-trifluoroethanol 1.01
    methyl butyrate 0.06

    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