Metrizamide
Metrizamide synonyms
Amipaque; 2-[({3-(acetylamino)-5-[acetyl(methyl)amino]-2,4,6-triiodophenyl}carbonyl)amino]-2-deoxy-D-glucopyranose
Graphical representations:
View large 3D structure
Molecular Formula: C18H22N3O8I3
Natural Isotopic Abundance Mass: 789.09599
Mono-Isotopic Molecular Masses:
- C12N14: 746.844871683
- C13N14: 764.9052587634
- C12N15: 791.8451983782
- C13N15: 809.9055854586
InChI string: InChI=1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7-,13-,15-,16-,18+/m1/s1
PubChem Compound (CID): 443944CAS Registry number: 31112-62-6
MMCD: cq_09172
CAS Registry number: 31112-62-6
ChEBI: CHEBI:553512
EPA DSSTox: 23310
KEGG Compound ID: D01311
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)