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Substance Name: Iohexol [USAN:USP:INN:BAN:JAN]
RN: 66108-95-0
UNII: 4419T9MX03
InChIKey: NTHXOOBQLCIOLC-UHFFFAOYSA-N

Note

  • An effective non-ionic, water-soluble contrast agent which is used in myelography, arthrography, nephroangiography, arteriography, and other radiographic procedures. Its low systemic toxicity is the combined result of low chemotoxicity and low osmolality.

Molecular Formula

  • C19-H26-I3-N3-O9

Molecular Weight

  • 821.1264
 

Classification Codes

  • Contrast Media
  • Diagnostic Aid (Radiopaque Medium)
  • Diagnostic Uses of Chemicals
  • Drug / Therapeutic Agent
  • Human Data
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Names and Synonyms

Name of Substance

  • Iohexol
  • Iohexol [USAN:USP:INN:BAN:JAN]

MeSH Heading

  • Iohexol

Synonyms

  • BRN 2406632
  • EC 266-164-2
  • EINECS 266-164-2
  • Exypaque
  • Iohexol
  • Iohexolum
  • Iohexolum [INN-Latin]
  • N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide
  • NSC 759636
  • Nycodenz
  • Omnipaque
  • Omnipaque 140
  • Omnipaque 180
  • Omnipaque 210
  • Omnipaque 240
  • Omnipaque 300
  • Omnipaque 350
  • Omnipaque 70
  • UNII-4419T9MX03
  • WIN 39424

Systematic Names

  • 1,3-Benzenedicarboxamide, 5-(acetyl(2,3-dihydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
  • Iohexol

Registry Numbers

CAS Registry Number

  • 66108-95-0

FDA UNII

  • 4419T9MX03

System Generated Number

  • 0066108950

Structure Descriptors

InChI

InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)

InChIKey

NTHXOOBQLCIOLC-UHFFFAOYSA-N

Smiles

CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous > 20gm/kg (20000mg/kg)   Drugs in Japan Vol. -, Pg. 105, 1990.
mouse LD50 intraperitoneal 4300mg/kg (4300mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 1030, 1987.
mouse LD50 intravenous 50gm/kg (50000mg/kg)   Acta Radiologica, Supplementum. Vol. 362, Pg. 73, 1980.
mouse LD50 oral > 20gm/kg (20000mg/kg)   Drugs in Japan Vol. -, Pg. 105, 1990.
rat LD50 intraperitoneal > 2200mg/kg (2200mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 1030, 1987.
rat LD50 intravenous 25235mg/kg (25235mg/kg)   Acta Radiologica, Supplementum. Vol. 370, Pg. 41, 1987.
rat LD50 oral > 20gm/kg (20000mg/kg)   Drugs in Japan Vol. -, Pg. 105, 1990.
women TDLo intravenous 1400mg/kg (1400mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" Annals of Internal Medicine. Vol. 107, Pg. 116, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 174-180 deg C   EXP
log P (octanol-water) -3.05E+00 (none)   EXP
Water Solubility 107 mg/L 25 EST
Vapor Pressure 2.77E-31 mm Hg 25 EST
Henry's Law Constant 2.66E-29 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.92E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.