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Substance Name: Isophthalamic acid, 5-butyrylamino-N-methyl-2,4,6-triiodo-, N-methylglucamine salt
RN: 67336-59-8
InChIKey: XECUYVLMRPJEFX-UHFFFAOYSA-N

Molecular Formula

  • C13-H13-I3-N2-O4.C7-H17-N-O5

Molecular Weight

  • 837.169
 
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Names and Synonyms

Synonym

  • 5-Butyrylamino-N-methyl-2,4,6-triiodoisophthalamic acid N-methylglucamine salt

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67336-59-8

System Generated Number

  • 0067336598

Molecular Formulas

Molecular Formula

  • C13-H13-I3-N2-O4.C7-H17-N-O5

Molecular Formula Fragments

  • C13-H13-I3-N2-O4
  • C7-H17-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C13H13I3N2O4.C7H17NO5/c1-3-4-5(19)18-11-9(15)6(12(20)17-2)8(14)7(10(11)16)13(21)22;1-8-2-4(10)6(12)7(13)5(11)3-9/h3-4H2,1-2H3,(H,17,20)(H,18,19)(H,21,22);4-13H,2-3H2,1H3

InChIKey

XECUYVLMRPJEFX-UHFFFAOYSA-N

Smiles

CCCC(=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 17800mg/kg (17800mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 24, 1963.