Grundinformationen
- CAS
85-36-9- Standard-SMILES
CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I- InChIKey
GNOGSFBXBWBTIG-UHFFFAOYSA-N- Summenformel
- C9H6I3NO3
- Durchschnittliche Molmasse
- 556,86 g/mol
- Monoisotopische Masse
- 556,7482
Überblick
Acetrizoic acid is an aminobenzoic acid.
Namen und Bezeichner
- Bevorzugter Name
- Acetrizoic Acid
- IUPAC
- 3-acetamido-2,4,6-triiodobenzoic acid
- Lokaler Name
- 3-Acetamido-2,4,6-triiodbenzoesure
- Englischer Name
- Acetrizoic acid
- Summenformel
- C9H6I3NO3
- Molmasse
- 556.86
Namen und Synonyme
Acetrizoic acid85-36-9Urokonic acidAcetrizoate3-(Acetylamino)-2,4,6-triiodobenzoic acidBenzoic acid, 3-(acetylamino)-2,4,6-triiodo-DTXSID20225493-acetamido-2,4,6-triiodo-benzoic acidNSC-75868124256BQV7MDTXCID002549Acid, Acetrizoic
Weitere Namen anzeigen
urokonicacidAcetrizoic Acid >Acetrizoic acid USP/EP/BPAcetrizoic acid, 10 mM in DMSOAcetrizoic acid,Inhibitor,inhibit
RefChem:5524413-Acetamido-2,4,6-triiodobenzoic acidOpacaronUrokonAcetrizoesaeureACETRIAZOIC ACID2,4,6-TRIIODO-3-ACETAMIDOBENZOIC ACIDMFCD00016495
Datenbank-Bezeichner
- CAS
85-36-9- PubChem CID
- 6806
- DTXSID
DTXSID2022549- ChEMBL
CHEMBL1201327- ChEBI
CHEBI:34521- UNII
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 66,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 300
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
SolubilitySoluble
Physikochemische Eigenschaften
- Schmelzpunkt
- 280 · 280-280.5 °C (decomp)
- Siedepunkt
- 547.1 · 547.1±50.0 °C(Predicted)
- Dichte
- 2.5688 · 2.5688 (estimate)
- storage temp.
- 2 · 2-8°C(protect from light)
- Löslichkeit
- It is soluble in alcohol, slightly soluble in ether and water, very slightly soluble in chloroform and practically insoluble in benzene.
- Aggregatzustand
- powder to crystal
- pka
- 1.13 · 1.13±0.10(Predicted)
- Farbe
- White power
- Wasserlöslichkeit
- 1.28 g/L · 1.28g/L(25 ºC)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Other Safety InformationIMAP assessments - Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- hs_code
- 2924.29.7790
- RTECS-Nr.
- DG0887000
- risk_code
- 36/37/38
- Toxizität
- LD50 orl-mus: 20 g/kg FRPSAX 18,33,63
- safety_code
- 26-36/37/39
Chemie und Industrie
Pharmakologische Informationen
ATC Code
V - Various
QV - Various
Protein BindingThe radiographic agents such as acetrizoic acid are carried free in plasma in which less than 5% of the injected dose is protein bound.
Mechanism of Action
Iodine, a big component in acetrizoic acid, is an element with a high atomic density. This property causes attenuation of X-rays within the diagnostic energy spectrum. Thus, acetrizoic acid is a water-soluble and reasonably safe iodinated contrast agent that can be intravenously administered for clinical applications.
Biological Half-LifeWhen water-soluble contrast agents, such as acetrizoic acid, are administered, it is reported a half-life of approximate 4 hours.
Metabolism/MetabolitesThe majority of the administered dose of acetrizoic acid remains unchanged.
MeSH Pharmacological ClassificationSubstances used to allow enhanced visualization of tissues.
Absorption, Distribution and Excretion
After intravenous administration, acetrizoic acid gets largely distributed in the extracellular fluid space. Radiographic agents like acetrizoic agents present variations in the plasma concentration depending on the dose and injection rate. After 5 minutes of administration, about 80% of the administered dose will stay outside of the intravascular compartment. There are some exceptions to the diffusion, such as the brain, neural tissue and testes where the tight junctions do not allow extravascularization.
After intravenous administration, acetrizoic acid is mainly excreted unchanged by the kidney. The elimination pathway is handled by a glomerular filtration and concentration by tubular resorption of water. The excreted dose is of about 83% of the administered dose after 3 hours and of about 100% at 24 hours.
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