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Substance Name: Ioxabrolic acid [INN]
RN: 96191-65-0
UNII: LP80S8XS18
InChIKey: OJCPHFBLBNKCNX-UHFFFAOYSA-N

Molecular Formula

  • C24-H21-Br3-I3-N5-O8

Molecular Weight

  • 1127.87
 
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Names and Synonyms

Name of Substance

  • Ioxabrolic acid [INN]

Synonyms

  • Ioxabrolic acid
  • N-(2-Hydroxyethyl)-2,4,6-triiodo-5-(2-(2,4,6-tribromo-3-(N-methylacetamido)-5-(methylcarbamoyl)benzamido)acetamido)isophthalamic acid
  • UNII-LP80S8XS18

Systematic Name

  • N-(2-Hydroxyethyl)-2,4,6-triiodo-5-(2-(2,4,6-tribromo-3-(N-methyl-acetamido)-5-(methylcarbamoyl)benzamido)acetamido)isophthalamic acid.

Registry Numbers

CAS Registry Number

  • 96191-65-0

FDA UNII

  • LP80S8XS18

System Generated Number

  • 0096191650

Structure Descriptors

InChI

1S/C24H21Br3I3N5O8/c1-7(37)35(3)20-14(26)9(21(39)31-2)13(25)10(15(20)27)22(40)33-6-8(38)34-19-17(29)11(23(41)32-4-5-36)16(28)12(18(19)30)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,41)(H,33,40)(H,34,38)(H,42,43)

InChIKey

OJCPHFBLBNKCNX-UHFFFAOYSA-N

Smiles

C(c1c(c(C(=O)NCCO)c(c(c1I)NC(CNC(c1c(c(c(c(c1Br)C(NC)=O)Br)N(C(C)=O)C)Br)=O)=O)I)I)(=O)O