Ferrospectral - CAS 28048-33-1
Catalog: |
BB019745 |
Product Name: |
Ferrospectral |
CAS: |
28048-33-1 |
Synonyms: |
disodium;4-[3-pyridin-2-yl-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate |
IUPAC Name: | disodium;4-[3-pyridin-2-yl-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate |
Description: | Ferrospectral (CAS# 28048-33-1) is a useful research chemical compound. |
Molecular Weight: | 514.44? |
Molecular Formula: | C20H12N4Na2O6S2 |
Canonical SMILES: | C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+] |
InChI: | InChI=1S/C20H14N4O6S2.2Na/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;;/h1-12H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2 |
InChI Key: | DDIHLFCSEHAOJZ-UHFFFAOYSA-L |
Appearance: | Yellow powder |
LogP: | 4.23740 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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JP-2021521116-A | Hinokitiol analogs, their preparation methods and pharmaceutical compositions | 20180413 |
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KR-20200077561-A | Food stabilization composition comprising a plant-derived inhibitor of fatty acid oxidation | 20171027 |
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PMID | Publication Date | Title | Journal |
23579336 | 20130501 | Evaluation of quantitative probes for weaker Cu(i) binding sites completes a set of four capable of detecting Cu(i) affinities from nanomolar to attomolar | Metallomics : integrated biometal science |
22882830 | 20120919 | The measurement of organically complexed FeII in natural waters using competitive ligand reverse titration | Analytica chimica acta |
22462755 | 20120901 | Melatonin attenuates hypochlorous acid-mediated heme destruction, free iron release, and protein aggregation in hemoglobin | Journal of pineal research |
22434419 | 20120801 | Mechanistic analysis of iron accumulation by endothelial cells of the BBB | Biometals : an international journal on the role of metal ions in biology, biochemistry, and medicine |
22712619 | 20120717 | Subsurface interactions of Fe(II) with humic acid or landfill leachate do not control subsequent iron(III) (hydr)oxide production at the surface | Environmental science & technology |
Complexity: | 801 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 513.99936503 |
Formal Charge: | 0 |
Heavy Atom Count: | 34 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 513.99936503 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 183 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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