Quinazoline - CAS 253-82-7
Catalog: |
BB018890 |
Product Name: |
Quinazoline |
CAS: |
253-82-7 |
Synonyms: |
quinazoline |
IUPAC Name: | quinazoline |
Description: | Quinazoline (CAS# 253-82-7) is an impurity of Eplerenone (E588775). Eplerenone is a selective aldosterone receptor antagonist (SARA), structurally similar to Spiranolactone. Eplerenone is used alone or in combination with other medications to treat high blood pressure. Eplerenone is in a class of medications called mineralocorticoid receptor antagonists. It works by blocking the action of aldosterone, a natural substance in the body that raises blood pressure. |
Molecular Weight: | 130.15 |
Molecular Formula: | C8H6N2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=NC=N2 |
InChI: | InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H |
InChI Key: | JWVCLYRUEFBMGU-UHFFFAOYSA-N |
Boiling Point: | 243 °C |
Melting Point: | 45-48 °C |
Purity: | 95 % |
Density: | 1.183 g/cm3 |
Appearance: | Yellow to tan solid |
Storage: | Store in a tightly closed container. Store in a cool, dry area away from incompatible substances. |
MDL: | MFCD00006712 |
LogP: | 1.62980 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
34648813 | 20211201 | Functional evaluation of vandetanib metabolism by CYP3A4 variants and potential drug interactions in vitro | Chemico-biological interactions |
32815004 | 20210101 | In vitro assessment of the photo(geno)toxicity associated with Lapatinib, a Tyrosine Kinase inhibitor | Archives of toxicology |
32717614 | 20200915 | The discovery and evaluation of 3-amino-2(1H)-pyrazinones as a novel series of selective p38α MAP kinase inhibitors | Bioorganic & medicinal chemistry letters |
32497502 | 20200625 | A Dual-Mechanism Antibiotic Kills Gram-Negative Bacteria and Avoids Drug Resistance | Cell |
32284327 | 20200522 | Symmetrically substituted dichlorophenes inhibit N-acyl-phosphatidylethanolamine phospholipase D | The Journal of biological chemistry |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.0530982 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.0530982 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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