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60166-93-0

60166-93-0 structural image
Product Name: Iopamidol
Formula: C17H22I3N3O8
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form White crystalline powder
Odor Odorless
Melting Point Decomposes at about 300 °C without melting
Solubility Very soluble in water
LogP log Kow = -2.42
Optical Rotation Specific optical rotation: -20.1 deg at 20 °C/D (c = 10 in water)
Decomposition When heated to decomposition it emits very toxic fumes of /iodine and oxides of nitrogen/.
Ionization Efficiency Positive
Dissociation Constants pKa = 10.70 (25 °C)
Collision Cross Section 205.65 Ų [M-H]- 219.24 Ų [M+H]+
Other Experimental Properties Physical properties of iopamidol in solution with hydrochloric acid and/or sodium hydroxide. Table: Percentage Iopamidol in Solution [Table#8056]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 777.1 g/mol
XLogP3 -2.4
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 10
Exact Mass 776.8541 g/mol
Monoisotopic Mass 776.8541 g/mol
Topological Polar Surface Area 188 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 583
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Iopamidol is a benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a (2S)-2-hydroxypropanamido group at the 5-position. It has a role as a radioopaque medium, an environmental contaminant and a xenobiotic. It is a benzenedicarboxamide, an organoiodine compound and a pentol.

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