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Substance Name: Isophthalamic acid, N-methyl-5-propionylamino-2,4,6-triiodo-, N-methylglucamine salt
RN: 67314-29-8
InChIKey: PEDXMZAJBPKUJB-UHFFFAOYSA-N

Molecular Formula

  • C12-H11-I3-N2-O4.C7-H17-N-O5

Molecular Weight

  • 823.1422
 
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Names and Synonyms

Synonym

  • N-Methyl-5-propionylamino-2,4,6-triiodoisophthalamic acid N-methylglucamine salt

Systematic Name

  • Isophthalamic acid, N-methyl-5-propionylamino-2,4,6-triiodo-, N-methylglucamine salt

Registry Numbers

CAS Registry Number

  • 67314-29-8

System Generated Number

  • 0067314298

Molecular Formulas

Molecular Formula

  • C12-H11-I3-N2-O4.C7-H17-N-O5

Molecular Formula Fragments

  • C12-H11-I3-N2-O4
  • C7-H17-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C12H11I3N2O4.C7H17NO5/c1-3-4(18)17-10-8(14)5(11(19)16-2)7(13)6(9(10)15)12(20)21;1-8-2-4(10)6(12)7(13)5(11)3-9/h3H2,1-2H3,(H,16,19)(H,17,18)(H,20,21);4-13H,2-3H2,1H3

InChIKey

PEDXMZAJBPKUJB-UHFFFAOYSA-N

Smiles

CCC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(C(=O)NC)c1I.C[NH2+]CC(O)C(O)C(O)C(O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18600mg/kg (18600mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 24, 1963.