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Substance Name: Ioxaglic acid [USAN:USP:INN:BAN:JAN]
RN: 59017-64-0
UNII: Z40X7EI2AF
InChIKey: TYYBFXNZMFNZJT-UHFFFAOYSA-N

Note

  • A low-osmolar, ionic contrast medium used in various radiographic procedures.

Molecular Formula

  • C24-H21-I6-N5-O8

Molecular Weight

  • 1268.86
 

Classification Codes

  • Contrast Media
  • Diagnostic Aid (Radiopaque Medium)
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Ioxaglic acid
  • Ioxaglic acid [USAN:USP:INN:BAN:JAN]

MeSH Heading

  • Ioxaglic acid

Synonyms

  • Acide ioxaglique
  • Acide ioxaglique [INN-French]
  • Acido ioxaglico
  • Acido ioxaglico [INN-Spanish]
  • Acidum ioxaglicum
  • Acidum ioxaglicum [INN-Latin]
  • Benzoic acid, 3-((((3-(acetylmethylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoyl)amino)acetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodo-
  • EINECS 261-560-1
  • Hexabrix 160
  • HSDB 8077
  • Ioxaglate
  • Ioxaglic acid
  • N-(2-Hydroxyethyl)-2,4,6-triiodo-5-(2-(2,4,6-triiodo-3-(N-methylacetamido)-5-(methylcarbamoyl)benzamido)acetamido)isophthalamic acid
  • P 286
  • P 286 (Contrast medium)
  • P-286
  • UNII-Z40X7EI2AF

Systematic Names

  • Benzoic acid, 3-((((3-(acetylmethylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoyl)amino)acetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodo-
  • Ioxaglic acid

Registry Numbers

CAS Registry Number

  • 59017-64-0

FDA UNII

  • Z40X7EI2AF

Related Registry Number

  • 67992-58-9 (mono-hydrochloride salt)

System Generated Number

  • 0059017640

Structure Descriptors

InChI

1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43)

InChIKey

TYYBFXNZMFNZJT-UHFFFAOYSA-N

Smiles

c1(c(c(c(I)c(c1I)C(NC)=O)N(C(C)=O)C)I)C(NCC(Nc1c(c(c(I)c(c1I)C(O)=O)C(NCCO)=O)I)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous > 10700mg/kg (10700mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 474, 1987.
mouse LD50 intraperitoneal > 37300mg/kg (37300mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 474, 1987.
mouse LD50 intravenous > 13300mg/kg (13300mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 2411, 1985.
rabbit LD50 intravenous > 10700mg/kg (10700mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 474, 1987.
rat LD50 intracrebral 102mg/kg (102mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 474, 1987.
rat LD50 intravenous 13300mg/kg (13300mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 2411, 1985.
rat LD50 oral 13300mg/kg (13300mg/kg)   Drugs in Japan Vol. -, Pg. 99, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.510 (none)   EST
Atmospheric OH Rate Constant 3.03E-11 cm3/molecule-sec 25 EST

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