α-Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid - CAS 96-84-4
Catalog: |
BB042013 |
Product Name: |
α-Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid |
CAS: |
96-84-4 |
Synonyms: |
2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid |
IUPAC Name: | 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid |
Description: | α-Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid (CAS# 96-84-4 ) is a useful research chemical. |
Molecular Weight: | 571.92 |
Molecular Formula: | C11H11I3O3 |
Canonical SMILES: | CCC(CC1=C(C(=C(C=C1I)I)O)I)C(=O)O |
InChI: | InChI=1S/C11H11I3O3/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5,15H,2-3H2,1H3,(H,16,17) |
InChI Key: | GOIQOQCNFWYSTQ-UHFFFAOYSA-N |
Boiling Point: | 459 °C at 760 mmHg |
Density: | 2.471 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
LogP: | 3.85930 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10980756-B1 | Methods of treatment | 20200316 |
WO-2021188564-A1 | Methods of treating covid-19 with a niclosamide compound | 20200316 |
US-2021114973-A1 | Pharmaceutical formulations | 20191018 |
WO-2021076922-A1 | Pharmaceutical formulations | 20191018 |
CN-109916691-A | Reagent for cellular esterases dyeing | 20190322 |
PMID | Publication Date | Title | Journal |
22115868 | 20120123 | Binding of diuretic antihypertensive bendroflumethiazide to human serum albumin studied by ¹⁹F nuclear magnetic resonance method | European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences |
21501503 | 20110418 | Crystallographic analysis reveals the structural basis of the high-affinity binding of iophenoxic acid to human serum albumin | BMC structural biology |
21935486 | 20110101 | Protection against tuberculosis in Eurasian wild boar vaccinated with heat-inactivated Mycobacterium bovis | PloS one |
20542477 | 20100715 | Analysis by LC/ESI-MS of iophenoxic acid derivatives and evaluation as markers of oral baits to deliver pharmaceuticals to wildlife | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
18602119 | 20080829 | Crystallographic analysis of human serum albumin complexed with 4Z,15E-bilirubin-IXalpha | Journal of molecular biology |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 571.7842 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 571.7842 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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