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Substance Name: Hexanoic acid, 2-(3,5-bis(methylcarbamoyl)-2,4,6-triiodophenoxy)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
RN: 19080-49-0
InChIKey: FBJUBOVRFALCHR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-I3-N2-O5.C7-H17-N-O5

Molecular Weight

  • 895.248
 
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Names and Synonyms

  • Hexanoic acid, 2-(3,5-bis(methylcarbamoyl)-2,4,6-triiodophenoxy)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)

Registry Numbers

CAS Registry Number

  • 19080-49-0

System Generated Number

  • 0019080490

Molecular Formulas

Molecular Formula

  • C16-H19-I3-N2-O5.C7-H17-N-O5

Molecular Formula Fragments

  • C16-H19-I3-N2-O5
  • C7-H17-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C16H19I3N2O5.C7H17NO5/c1-4-5-6-7(16(24)25)26-13-11(18)8(14(22)20-2)10(17)9(12(13)19)15(23)21-3;1-8-2-4(10)6(12)7(13)5(11)3-9/h7H,4-6H2,1-3H3,(H,20,22)(H,21,23)(H,24,25);4-13H,2-3H2,1H3

InChIKey

FBJUBOVRFALCHR-UHFFFAOYSA-N

Smiles

c1(c(c(c(c(c1I)C(NC)=O)I)C(NC)=O)I)O[C@@H](CCCC)C(O)=O.O[C@@H]([C@@H]([C@@H](CO)O)O)[C@@H](CNC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 9900mg/kg (9900mg/kg)   Pharmazie. Vol. 22, Pg. 470, 1967.