N-Acetylbenzoquinoneimine - CAS 50700-49-7
Catalog: |
BB027181 |
Product Name: |
N-Acetylbenzoquinoneimine |
CAS: |
50700-49-7 |
Synonyms: |
N-(4-oxocyclohexa-2,5-dien-1-ylidene)acetamide |
IUPAC Name: | N-(4-oxocyclohexa-2,5-dien-1-ylidene)acetamide |
Description: | An impurity of Phenylephrine which causes pulmonary vessel constriction and subsequent increase in pulmonary arterial pressure. |
Molecular Weight: | 149.15 |
Molecular Formula: | C8H7NO2 |
Canonical SMILES: | CC(=O)N=C1C=CC(=O)C=C1 |
InChI: | InChI=1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3 |
InChI Key: | URNSECGXFRDEDC-UHFFFAOYSA-N |
Boiling Point: | 255.6 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.13 g/cm3 |
LogP: | 0.66900 |
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 |
CN-113476464-A | Application of glucoside compound in preparation of medicine for preventing or/and treating liver injury | 20210729 |
CN-113209089-A | Application of small molecular compound in preparation of anti-depression drugs | 20210514 |
CN-113209092-A | Application of small molecule compound in preparation of medicine for resisting central nervous system inflammation | 20210514 |
CN-113209100-A | Application of small molecule compound in preparation of medicine for resisting central nervous system inflammation | 20210514 |
CN-112294808-A | Application of hydrochloric acid demethyleneberberine acetate in preparation of medicine for preventing or treating drug-induced liver injury | 20201113 |
PMID | Publication Date | Title | Journal |
33290831 | 20210301 | Mitochondrial protein adduct and superoxide generation are prerequisites for early activation of c-jun N-terminal kinase within the cytosol after an acetaminophen overdose in mice | Toxicology letters |
32677766 | 20201101 | Isatidis Folium alleviates acetaminophen-induced liver injury in mice by enhancing the endogenous antioxidant system | Environmental toxicology |
32472168 | 20200901 | Human multidrug resistance protein 4 (MRP4) is a cellular efflux transporter for paracetamol glutathione and cysteine conjugates | Archives of toxicology |
31524377 | 20200121 | Guanabenz Attenuates Acetaminophen-Induced Liver Toxicity and Synergizes Analgesia in Mice | Chemical research in toxicology |
31625388 | 20191118 | Chrysin Effect in Prevention of Acetaminophen-Induced Hepatotoxicity in Rat | Chemical research in toxicology |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.047678466 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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