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Substance Name: Octanoic acid, 2-(3,5-bis(methylcarbamoyl)-2,4,6-triiodophenoxy)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
RN: 19080-51-4
InChIKey: GWLJHVFROXQIHR-WZTVWXICSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-I3-N2-O5.C7-H17-N-O5

Molecular Weight

  • 923.302
 
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Names and Synonyms

  • Octanoic 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

  • 19080-51-4

System Generated Number

  • 0019080514

Molecular Formulas

Molecular Formula

  • C18-H23-I3-N2-O5.C7-H17-N-O5

Molecular Formula Fragments

  • C18-H23-I3-N2-O5
  • C7-H17-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23I3N2O5.C7H17NO5/c1-4-5-6-7-8-9(18(26)27)28-15-13(20)10(16(24)22-2)12(19)11(14(15)21)17(25)23-3;1-8-2-4(10)6(12)7(13)5(11)3-9/h9H,4-8H2,1-3H3,(H,22,24)(H,23,25)(H,26,27);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

InChIKey

GWLJHVFROXQIHR-WZTVWXICSA-N

Smiles

CNC[C@H](O)[C@@H](O)[C@@H]([C@@H](CO)O)O.C([C@@H](CCCCCC)Oc1c(c(c(c(c1I)C(NC)=O)I)C(NC)=O)I)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 530mg/kg (530mg/kg)   Pharmazie. Vol. 22, Pg. 470, 1967.