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Chemical structure of Metrizamide

GC44187

Metrizamide

Also known as 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide

Metrizamide is a non-ionic contrast agent

ChemicalCAS31112-62-6MW789.1FormulaC18H22I3N3O8
CAS number
31112-62-6
Molecular weight
789.1
Formula
C18H22I3N3O8
Solubility
DMSO ： ≥ 50 mg/mL (63·36 mM)
InChIKey
BAQCROVBDNBEEB-UBYUBLNFSA-N
Catalogue number
GC44187
Brand
GLPBIO
Computed properties PubChem CID 443944 · XLogP -0.4 · TPSA 169 Ų · H-bond donors 6
XLogP
-0.4
TPSA
169 Ų
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
32

SMILES CC(=O)NC1=C(C(=C(C(=C1I)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)I)N(C)C(=O)C)I

Computed descriptors from PubChem (CID 443944), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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