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Substance Name: Ioxaglate meglumine mixture with ioxaglate sodium
RN: 76820-74-1
InChIKey: BZMTVQGGJKJUPB-RZNNTOFGSA-N

Molecular Formula

  • C24-H21-I6-N5-O8.C24-H21-I6-N5-O8.C7-H17-N-O5.Na

Molecular Weight

  • 2755.92
 
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Names and Synonyms

Results Name

  • Ioxaglate meglumine mixture with ioxaglate sodium

Name of Substance

  • Ioxaglate meglumine mixture with ioxaglate sodium

MeSH Heading

  • Ioxaglic acid

Synonyms

  • AG 6227
  • ER 60
  • Hexabrix
  • Hexabrix 320
  • Ioxaglate Meglumine and Ioxaglate Sodium
  • Sodium meglumine ioxaglate

Systematic Name

  • D-Glucitol, 1-deoxy-1-(methylamino)-, 3-((((3-(acetylmethylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoyl)amino)acetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodobenzoate (salt), mixt. with 3-((((3-(acetylmethylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoyl)amino)acetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodobenzoic acid monosodium salt

Registry Numbers

CAS Registry Number

  • 76820-74-1

System Generated Number

  • 0076820741

Molecular Formulas

Molecular Formula

  • C24-H21-I6-N5-O8.C24-H21-I6-N5-O8.C7-H17-N-O5.Na

Molecular Formula Fragments

  • C24-H21-I6-N5-O8
  • C7-H17-N-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/2C24H21I6N5O8.C7H17NO5.Na/c2*1-7(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;1-8-2-4(10)6(12)7(13)5(11)3-9;/h2*36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);4-13H,2-3H2,1H3;/q;;;-1/t;;4-,5+,6+,7+;/m..0./s1

InChIKey

BZMTVQGGJKJUPB-RZNNTOFGSA-N

Smiles

c1(N(C)C(C)=O)c(c(c(c(C(=O)NC)c1I)I)C(NCC(Nc1c(c(c(c(c1I)C(O)=O)I)C(=O)NCCO)I)=O)=O)I.[Na-].c1(c(c(c(I)c(C(=O)NC)c1I)C(NCC(Nc1c(c(c(c(c1I)C(O)=O)I)C(=O)NCCO)I)=O)=O)I)N(C)C(C)=O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intracrebral 851mg/kg (851mg/kg)   Journal of the American College of Toxicology. Vol. 9, Pg. 563, 1990.
mouse LD50 intravenous 18460ug/kg (18.46mg/kg)   Journal of the American College of Toxicology. Vol. 9, Pg. 563, 1990.