ChemSpider 2D Image | iopromide | C18H24I3N3O8


  • Molecular FormulaC18H24I3N3O8
  • Average mass791.112 Da
  • Monoisotopic mass790.869690 Da
  • ChemSpider ID3605

More details:

Featured data source

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3-benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(methoxyacetyl)amino]-N-methyl-
1,3-Benzenedicarboxamide, N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N1-methyl- [ACD/Index Name]
277-385-9 [EINECS]
5-Methoxyacetylamino-2,4,6-triiodoisophthalic Acid [(2,3-Dihydroxy-N-methylpropyl)-(2,3-dihydroxypropyl)]diamide
73334-07-3 [RN]
iopromida [Spanish] [INN]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:63578 [DBID]
BRN 7085608 [DBID]
D01893 [DBID]
Prestwick0_000872 [DBID]
Prestwick1_000872 [DBID]
SPBio_002864 [DBID]
ZK 35760 [DBID]
  • Miscellaneous
    • Safety:

      V08AB05 Wikidata Q4202805
    • Target Organs:

      Others TargetMol T1522
    • Chemical Class:

      A dicarboxylic acid diamide that consists of <element>N</element>-methylisophthalamide bearing three iodo substituents at positions 2, 4 and 6, a methoxyacetyl substituent at position 5 and two 2,3-di hydroxypropyl groups attached to the amide nitrogens. A water soluble x-ray contrast agent for intravascular administration. ChEBI CHEBI:63578
    • Bio Activity:

      Others TargetMol T1522

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.2±0.1 g/cm3
Boiling Point: 840.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.1±3.0 kJ/mol
Flash Point: 462.4±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 142.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.95
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): -2.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.67
Polar Surface Area: 169 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 78.0±3.0 dyne/cm
Molar Volume: 364.0±3.0 cm3

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