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Substance Name: Iopentol [USAN:INN:BAN]
RN: 89797-00-2
UNII: 7D6XWX076T
InChIKey: IUNJANQVIJDFTQ-UHFFFAOYSA-N

Classification Codes

  • Contrast Media
  • Diagnostic Aid (Radiopaque Medium)
  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-I3-N3-O9

Molecular Weight

  • 835.1532
 
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Names and Synonyms

Name of Substance

  • Iopentol
  • Iopentol [USAN:INN:BAN]

Synonyms

  • 1,3-Benzenedicarboxamide, 5-(acetyl(2-hydroxy-3-methoxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
  • Cpd. 5411
  • Imagopaque
  • Iopentol
  • Iopentolum
  • Iopentolum [Latin]
  • N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2-hydroxy-3-methoxypropyl)acetamido)-2,4,6-triiodoisophthalamide
  • UNII-7D6XWX076T

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 89797-00-2

FDA UNII

  • 7D6XWX076T

System Generated Number

  • 0089797002

Structure Descriptors

InChI

1S/C20H28I3N3O9/c1-9(29)26(5-12(32)8-35-2)18-16(22)13(19(33)24-3-10(30)6-27)15(21)14(17(18)23)20(34)25-4-11(31)7-28/h10-12,27-28,30-32H,3-8H2,1-2H3,(H,24,33)(H,25,34)

InChIKey

IUNJANQVIJDFTQ-UHFFFAOYSA-N

Smiles

COCC(O)CN(C(=O)C)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
mouse LD50 intravenous 42517mg/kg (42517mg/kg)   Acta Radiologica, Supplementum. Vol. 370, Pg. 41, 1987.
rat LD50 intravenous 22573mg/kg (22573mg/kg)   Acta Radiologica, Supplementum. Vol. 370, Pg. 41, 1987.