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Substance Name: Valeric acid, 2-(3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
RN: 19080-06-9
InChIKey: DUNXOMHWVPHBJV-WZTVWXICSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-I3-N2-O5.C7-H17-N-O5

Molecular Weight

  • 909.275
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 19080-06-9

System Generated Number

  • 0019080069

Molecular Formulas

Molecular Formula

  • C17-H21-I3-N2-O5.C7-H17-N-O5

Molecular Formula Fragments

  • C17-H21-I3-N2-O5
  • C7-H17-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21I3N2O5.C7H17NO5/c1-4-7-8(17(25)26)27-14-12(19)9(15(23)21-5-2)11(18)10(13(14)20)16(24)22-6-3;1-8-2-4(10)6(12)7(13)5(11)3-9/h8H,4-7H2,1-3H3,(H,21,23)(H,22,24)(H,25,26);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

InChIKey

DUNXOMHWVPHBJV-WZTVWXICSA-N

Smiles

C([C@@H](Oc1c(c(C(=O)NCC)c(c(c1I)C(NCC)=O)I)I)CCC)(=O)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 intravenous 7500mg/kg (7500mg/kg)   Pharmazie. Vol. 22, Pg. 470, 1967.