Iodipamide

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  • Identifiers

    CAS number
    606-17-7

    Molecular formula
    C20H14I6N2O6

    SMILES
    C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 70.95%
    Savory 29.99%
    Cooling 21.89%
    Meaty 21.19%
    Milky 21.03%
    Cooked 19.62%
    Bitter 17.59%
    Grape 16.28%
    Animal 16.12%
    Burnt 14.89%

     

    Flavor
    Bitter 67.13%
    Odorless 58.9%
    Mild 32.01%
    Bland 30.75%
    Very mild 23.38%
    Sweet-like 21.77%
    Yeast 20.44%
    Nitrile 19.89%
    Bread crust 19.3%
    Taco 19.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    4.8 (weak acid)

    Molecular weight
    1139.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1841°C

    Melting point expt.

    • 306-308
    • 306-308 °C
    • 307 °C

    Flash point

    • 446.76 ˚C est.

    Solubility expt.

    • >171 [ug/mL] (The mean of the results at pH 7.4)
    • 460 mg/L (at 20 °C)
    • In water, 4.036X10-4 mg/L at 20 °C
    • Insoluble in water
    • Solubility at 20 °C: methanol 0.8%; ethanol 0.3%; acetone 0.2%; ether 0.1%
    • Very slightly soluble in chloroform
    • 3.06e-03 g/L

  • Synonyms

    • IODIPAMIDE
    • Adipiodone
    • 606-17-7
    • Cholografin
    • Iodipamic acid
    • Adipiodon
    • Bilignost
    • Bilignostum
    • Cholospect
    • Biligrafin
    • Adipiodona
    • Transbilix
    • Adipiodonum [INN-Latin]
    • Adipiodona [INN-Spanish]
    • Adipiodonum
    • Adipiodone [INN]
    • 3,3'-[(1,6-DIOXOHEXANE-1,6-DIYL)DIIMINO]BIS(2,4,6-TRIIODOBENZOIC ACID)
    • Iodipamide [USP:INN]
    • EINECS 210-105-5
    • 3,3'-(Adipoyldiimino)bis(2,4,6-triiodobenzoic acid)
    • TKQ858A3VW
    • BRN 2230896
    • DTXSID6023153
    • HSDB 8066
    • N,N''-Adipoyl-bis(3-amino-2,4,6-triiodbenzoesaeure)
    • IODIPAMIDE [MI]
    • ADIPIODONE [JAN]
    • 3-[[6-(3-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid
    • NSC-757423
    • ADIPIODONE [MART.]
    • ADIPIODONE [WHO-DD]
    • IODIPAMIDE [USP-RS]
    • DTXCID203153
    • CHEBI:31176
    • IODIPAMIDE MEGLUMINE
    • IODIPAMIDE [USP MONOGRAPH]
    • Adipic acid di(3-carboxy-2,4,6-triiodoanilide)
    • 4-14-00-01122 (Beilstein Handbook Reference)
    • 3,3-Adipoyldiiminobis(2,4,6-Triiodobenzoic Acid)
    • Benzoic acid, 3,3'-((1,6-dioxo-1,6-hexanediyl)diimino)bis(2,4,6-triiodo-
    • 3,3'(Adipoyldiimino)bis(2,4,6-triiodobenzoic acid)
    • NSC 757423
    • 3-[5-[(3-CARBOXY-2,4,6-TRIIODO-PHENYL)CARBAMOYL]PENTANOYLAMINO]-2,4,6-TRIIODO-BENZOIC ACID
    • Benzoic acid, 3,3'-(adipoyldiimino)bis(2,4,6-triiodo-
    • NCGC00016523-03
    • CAS-606-17-7
    • Iodipamide (USP:INN)
    • Adipiodonum (INN-Latin)
    • Adipiodona (INN-Spanish)
    • Benzoic acid, 3,3'-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodo-
    • ADIPIODONE (MART.)
    • 3-{5-[(3-carboxy-2,4,6-triiodophenyl)carbamoyl]pentanamido}-2,4,6-triiodobenzoic acid
    • IODIPAMIDE (USP-RS)
    • IODIPAMIDE (USP MONOGRAPH)
    • 3-[[6-[(3-carboxy-2,4,6-triiodophenyl)amino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid
    • Iodipamide (USP)
    • Adipiodone (JAN/INN)
    • UNII-TKQ858A3VW
    • biligrafine
    • 3,3'-((1,6-dioxohexane-1,6-diyl)diimino)bis(2,4,6-triiodobenzoic acid)
    • 3-(5-((3-carboxy-2,4,6-triiodophenyl)carbamoyl)pentanamido)-2,4,6-triiodobenzoic acid
    • 3-((6-((3-carboxy-2,4,6-triiodophenyl)amino)-6-oxohexanoyl)amino)-2,4,6-triiodobenzoic acid
    • MFCD00058983
    • Iodipamide (Standard)
    • starbld0009605
    • Iodipamide (Adipiodone)
    • Prestwick0_000939
    • Prestwick1_000939
    • Prestwick2_000939
    • Prestwick3_000939
    • SCHEMBL37678
    • BSPBio_000878
    • MLS001066414
    • 3,3'-Adipoyldiiminobis(2,4,6-triiodobenzoic Acid)
    • SPBio_003047
    • BPBio1_000966
    • GTPL7400
    • CHEMBL1165268
    • HY-B1292R
    • V08AC04
    • HMS1570L20
    • HMS2097L20
    • HMS2232C09
    • HMS3370I13
    • HMS3714L20
    • HY-B1292
    • Tox21_113504
    • XH1544
    • AKOS015964892
    • Tox21_113504_1
    • CCG-220939
    • DB04711
    • FI24595
    • NCGC00016523-01
    • NCGC00016523-02
    • NCGC00016523-04
    • NCGC00016523-05
    • MS-32005
    • SMR000471884
    • 1ST163178
    • DB-053672
    • AB00513970
    • CS-0013062
    • I0299
    • NS00008576
    • D01774
    • G12161
    • EN300-23542612
    • Iodipamide, analytical standard, for drug analysis
    • SR-01000760542
    • Q4682934
    • SR-01000760542-2
    • 3,3'-(Adipoyldimino)bis(2,4,6-triiodobenzoic acid)
    • BRD-K67261995-001-03-4
    • BRD-K67261995-001-11-7
    • N,N'-Adipylbis(3-amino-2,4,6-triiodobenzoic acid)
    • Iodipamide, United States Pharmacopeia (USP) Reference Standard
    • 3,3'-(1,6-Dioxo-1,6-hexanediyl)diimino]bis(2,4,6-triiodobenzoic acid)
    • 3,3'-[(1,6-Dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodobenzoic acid
    • Benzoic acid, 3,3'-((1,6-dioxo-1,6-hexanediyl)diimino)bis(2,4,6-triiodo)-
    • 3-({6-[(3-carboxy-2,4,6-triiodophenyl)amino]-1,6-dioxohexyl}amino)-2,4,6-triiodobenzoic acid

  • Applications

    Iodipamide is an iodinated radiopaque contrast agent used in diagnostic imaging to improve visualization of anatomy and vascular structures; it is typically formulated as injectable salts (such as meglumine or sodium) for hospital use and is employed in procedures including intravenous urography, cholangiography, and angiography, as well as select X-ray/fluoroscopy and CT examinations where enhanced radiopacity is required.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.11
    methanol 0.78
    isopropanol 0.54
    water 0.0
    ethyl acetate 0.73
    n-propanol 1.23
    acetone 0.82
    n-butanol 0.94
    acetonitrile 0.29
    DMF 13.28
    toluene 0.47
    isobutanol 0.72
    1,4-dioxane 1.51
    methyl acetate 0.81
    THF 10.45
    2-butanone 1.8
    n-pentanol 0.9
    sec-butanol 0.87
    n-hexane 0.04
    ethylene glycol 0.22
    NMP 17.23
    cyclohexane 0.04
    DMSO 2.26
    n-butyl acetate 1.4
    n-octanol 0.88
    chloroform 2.05
    n-propyl acetate 1.12
    acetic acid 0.84
    dichloromethane 1.61
    cyclohexanone 2.88
    propylene glycol 0.63
    isopropyl acetate 0.57
    DMAc 13.7
    2-ethoxyethanol 2.79
    isopentanol 0.58
    n-heptane 0.05
    ethyl formate 0.96
    1,2-dichloroethane 0.76
    n-hexanol 0.79
    2-methoxyethanol 4.03
    isobutyl acetate 0.64
    tetrachloromethane 0.16
    n-pentyl acetate 1.99
    transcutol 4.48
    n-heptanol 0.96
    ethylbenzene 0.27
    MIBK 0.81
    2-propoxyethanol 4.59
    tert-butanol 0.42
    MTBE 0.56
    2-butoxyethanol 3.65
    propionic acid 0.85
    o-xylene 0.24
    formic acid 0.7
    diethyl ether 0.67
    m-xylene 0.25
    p-xylene 0.25
    chlorobenzene 0.39
    dimethyl carbonate 0.98
    n-octane 0.03
    formamide 1.17
    cyclopentanone 6.38
    2-pentanone 1.45
    anisole 0.94
    cyclopentyl methyl ether 2.37
    gamma-butyrolactone 5.99
    1-methoxy-2-propanol 3.43
    pyridine 3.56
    3-pentanone 0.97
    furfural 5.15
    n-dodecane 0.03
    diethylene glycol 1.64
    diisopropyl ether 0.11
    tert-amyl alcohol 0.74
    acetylacetone 1.11
    n-hexadecane 0.03
    acetophenone 1.36
    methyl propionate 1.49
    isopentyl acetate 1.03
    trichloroethylene 2.45
    n-nonanol 0.97
    cyclohexanol 0.72
    benzyl alcohol 1.23
    2-ethylhexanol 0.55
    isooctanol 0.71
    dipropyl ether 1.0
    1,2-dichlorobenzene 0.35
    ethyl lactate 1.13
    propylene carbonate 2.19
    n-methylformamide 3.38
    2-pentanol 0.51
    n-pentane 0.05
    1-propoxy-2-propanol 3.44
    1-methoxy-2-propyl acetate 2.49
    2-(2-methoxypropoxy) propanol 3.05
    mesitylene 0.1
    ε-caprolactone 3.37
    p-cymene 0.23
    epichlorohydrin 5.67
    1,1,1-trichloroethane 0.4
    2-aminoethanol 0.89
    morpholine-4-carbaldehyde 10.73
    sulfolane 7.33
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 3.3
    n-hexyl acetate 2.0
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 3.61
    sec-butyl acetate 0.65
    tert-butyl acetate 0.71
    decalin 0.03
    glycerin 1.09
    diglyme 5.65
    acrylic acid 0.92
    isopropyl myristate 0.62
    n-butyric acid 1.21
    acetyl acetate 0.28
    di(2-ethylhexyl) phthalate 1.01
    ethyl propionate 1.03
    nitromethane 1.39
    1,2-diethoxyethane 1.49
    benzonitrile 0.93
    trioctyl phosphate 0.76
    1-bromopropane 0.63
    gamma-valerolactone 10.9
    n-decanol 0.63
    triethyl phosphate 0.64
    4-methyl-2-pentanol 0.25
    propionitrile 0.6
    vinylene carbonate 2.01
    1,1,2-trichlorotrifluoroethane 5.41
    DMS 1.02
    cumene 0.16
    2-octanol 0.71
    2-hexanone 1.43
    octyl acetate 1.03
    limonene 0.36
    1,2-dimethoxyethane 4.39
    ethyl orthosilicate 0.65
    tributyl phosphate 0.72
    diacetone alcohol 1.59
    N,N-dimethylaniline 1.01
    acrylonitrile 1.01
    aniline 1.05
    1,3-propanediol 1.0
    bromobenzene 0.31
    dibromomethane 0.89
    1,1,2,2-tetrachloroethane 1.87
    2-methyl-cyclohexyl acetate 1.16
    tetrabutyl urea 1.8
    diisobutyl methanol 0.22
    2-phenylethanol 1.27
    styrene 0.3
    dioctyl adipate 1.16
    dimethyl sulfate 1.79
    ethyl butyrate 1.16
    methyl lactate 1.66
    butyl lactate 2.38
    diethyl carbonate 0.61
    propanediol butyl ether 2.75
    triethyl orthoformate 1.13
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 2.54
    morpholine 4.99
    tert-butylamine 0.24
    n-dodecanol 0.39
    dimethoxymethane 4.97
    ethylene carbonate 1.29
    cyrene 3.75
    2-ethoxyethyl acetate 2.4
    2-ethylhexyl acetate 0.89
    1,2,4-trichlorobenzene 0.56
    4-methylpyridine 2.66
    dibutyl ether 0.77
    2,6-dimethyl-4-heptanol 0.22
    DEF 3.85
    dimethyl isosorbide 5.78
    tetrachloroethylene 1.01
    eugenol 3.14
    triacetin 1.49
    span 80 2.67
    1,4-butanediol 0.49
    1,1-dichloroethane 0.56
    2-methyl-1-pentanol 0.68
    methyl formate 1.9
    2-methyl-1-butanol 0.84
    n-decane 0.06
    butyronitrile 0.81
    3,7-dimethyl-1-octanol 0.55
    1-chlorooctane 0.32
    1-chlorotetradecane 0.11
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.02
    cyclooctane 0.02
    cyclopentanol 1.51
    tetrahydropyran 1.84
    tert-amyl methyl ether 0.82
    2,5,8-trioxanonane 3.7
    1-hexene 0.3
    2-isopropoxyethanol 1.69
    2,2,2-trifluoroethanol 0.45
    methyl butyrate 1.63

    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