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Substance Name: Butyric acid, 2-(3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
RN: 19080-54-7
InChIKey: PIDWLOWMFNWXGZ-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

  • Butyric 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

  • 19080-54-7

System Generated Number

  • 0019080547

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/c1-4-7(16(24)25)26-13-11(18)8(14(22)20-5-2)10(17)9(12(13)19)15(23)21-6-3;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

PIDWLOWMFNWXGZ-UHFFFAOYSA-N

Smiles

c1(c(c(c(c(c1I)C(NCC)=O)I)C(NCC)=O)I)O[C@@H](C(=O)[O-])CC.O[C@@H]([C@@H]([C@@H](CO)O)O)[C@@H](C[NH2+]C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10200mg/kg (10200mg/kg)   Pharmazie. Vol. 22, Pg. 470, 1967.