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2-((2-(3-(Acetylamino)-2,4,6-triiodophenoxy)ethoxy)methyl)butanoic acid

HCID 37822
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Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
37723-78-7
Standard SMILES
CCC(COCCOc1c(I)cc(I)c(NC(C)=O)c1I)C(=O)O
InChIKey
YMFIJXDFAPHJIN-UHFFFAOYSA-N
Molecular formula
C15H18I3NO5
Average molar mass
673.02 g/mol
Monoisotopic mass
672.8319

Overview

Iopronic acid is an aromatic amide.

Names & identifiers

Preferred name
2-((2-(3-(Acetylamino)-2,4,6-triiodophenoxy)ethoxy)methyl)butanoic acid
IUPAC
2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxymethyl]butanoic acid

Names & synonyms

Iopronic acidAcido iopronicoAcide iopronique37723-78-7VideobilOravueSQ-21983Acidum iopronicumB-11420SO-21983SQ 219832-((2-(3-(Acetylamino)-2,4,6-triiodophenoxy)ethoxy)methyl)butanoic acid
Show more names
B 11420RefChem:908962253-643-64P675153BVBilimiron2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxymethyl]butanoic acidBilimiron (TN)Iopronic acid (USAN/INN)

Database identifiers

CAS
37723-78-7
PubChem CID
37822
ChEMBL
CHEMBL2105012
ChEBI
CHEBI:135869
EC Number
253-643-6
Nikkaji
J21.234B

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
84.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
24
Formal charge
0
Complexity
426

Related reactions

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Compound notes

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