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Substance Name: Acetic acid, (3,5-bis(methylcarbamoyl)-2,4,6-triiodophenoxy)phenyl-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
RN: 19080-52-5
InChIKey: ZQODHJKAKFHFRA-WZTVWXICSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H15-I3-N2-O5.C7-H17-N-O5

Molecular Weight

  • 915.239
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 19080-52-5

System Generated Number

  • 0019080525

Molecular Formulas

Molecular Formula

  • C18-H15-I3-N2-O5.C7-H17-N-O5

Molecular Formula Fragments

  • C18-H15-I3-N2-O5
  • C7-H17-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C18H15I3N2O5.C7H17NO5/c1-22-16(24)9-11(19)10(17(25)23-2)13(21)15(12(9)20)28-14(18(26)27)8-6-4-3-5-7-8;1-8-2-4(10)6(12)7(13)5(11)3-9/h3-7,14H,1-2H3,(H,22,24)(H,23,25)(H,26,27);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

InChIKey

ZQODHJKAKFHFRA-WZTVWXICSA-N

Smiles

CNC[C@H](O)[C@@H](O)[C@@H]([C@@H](CO)O)O.C([C@@H](Oc1c(c(c(c(c1I)C(NC)=O)I)C(NC)=O)I)c1ccccc1)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 9050mg/kg (9050mg/kg)   Pharmazie. Vol. 22, Pg. 470, 1967.