Broxitalamic Acid structure

Broxitalamic Acid

3-acetamido-2,4,6-tribromo-5-(2-hydroxyethylcarbamoyl)benzoic acid

Also Known As: Broxitalamic acid|Broxitalaminsaeure|Broxitalamicacid|acido broxitalamico|acide broxitalamique|Broxitalamic acid [INN]|acidum broxitalamicum|5-Acetamido-2,4,6-tribromo-N-(2-hydroxyethyl)isophthalamic acid|2,3,4,5-TETRACHLOROTHIOPHENE1,1-DIOXIDE|3-acetamido-2,4,6-tribromo-5-(2-hydroxyethylcarbamoyl)benzoic acid|5-Acetatamido-2,4,6-tribromo-N-(2-hydroxyethyl)isophthalamsaeure|5-Acetamido-2,4,6-tribromo-N-(2-hydroxyethyl)isophthalamic acid.|2,4,6-tribromo-3-acetamido-5-[(2-hydroxyethyl)carbamoyl]benzoic acid|3-Acetamido-2,4,6-tribromo-5-[(2-hydroxyethyl)carbamoyl]benzoic acid|3-(Acetylamino)-2,4,6-tribromo-5-[[(2-hydroxyethyl)amino]carbonyl]benzoic acid

CAS: 86216-41-3
Molecular Formula C12H11Br3N2O5
Molecular Weight 499.8218 g/mol
LogP 1.3
Topological Polar Surface Area 116.0 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 499.8218
Monoisotopic Mass 499.8218
Heavy Atoms 22
Complexity 450.0

Chemical Identifiers

CAS Number 86216-41-3
SMILES CC(=O)NC1=C(C(=C(C(=C1Br)C(=O)O)Br)C(=O)NCCO)Br
InChIKey HGWOCGUIQUERSN-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.

Pharmaceutical Intermediates (13 patents)

Product Overview

Broxitalamic Acid (CAS 86216-41-3), with molecular formula C12H11Br3N2O5 and molecular weight 499.8218 g/mol. IUPAC: 3-acetamido-2,4,6-tribromo-5-(2-hydroxyethylcarbamoyl)benzoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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