Acetrizoate sodiumProduct ingredient for Acetrizoic acid
- Name
- Acetrizoate sodium
- Drug Entry
- Acetrizoic acid
Acetrizoic acid presents the molecular formula of 3-acetamidol-2,4,6-triiodobenzoic acid5 and it is the first monomeric ionic compound used as an X-ray contrast agent.1 It was first synthesized by Wallingford in 19532 and it was filled in the FDA by the Johnson & Johnson subsidiary, Cilag Chemie AG, on February 8th, 1978.7 Acetrizoic acid presents, in the FDA records, a category of drug substance with an inactive status.6
- Accession Number
- DBSALT001380
- Structure
Structure for Acetrizoate sodium (DBSALT001380)
- Synonyms
- Not Available
- UNII
- 5GF4B2I1DD
- CAS Number
- 129-63-5
- Weight
- Average: 578.846
Monoisotopic: 578.73012 - Chemical Formula
- C9H5I3NNaO3
- InChI Key
- UCPVOMHRDXMAIZ-UHFFFAOYSA-M
- InChI
- InChI=1S/C9H6I3NO3.Na/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16;/h2H,1H3,(H,13,14)(H,15,16);/q;+1/p-1
- IUPAC Name
- sodium 3-acetamido-2,4,6-triiodobenzoate
- SMILES
- [Na+].CC(=O)NC1=C(I)C=C(I)C(C([O-])=O)=C1I
- External Links
- ChemSpider
- 8203
- Wikipedia
- Acetrizoic_acid
- Predicted Properties
Property Value Source Water Solubility 0.0363 mg/mL ALOGPS logP 1.77 ALOGPS logP 3.66 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 2.33 Chemaxon pKa (Strongest Basic) -4.5 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 69.23 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 99.1 m3·mol-1 Chemaxon Polarizability 32.94 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon