2-Hydroxyquinoline

HCID 6038CAS 104534-80-7

基本情報

標準SMILES
O=c1ccc2ccccc2[nH]1
InChIKey
LISFMEBWQUVKPJ-UHFFFAOYSA-N
分子式
C9H7NO
平均分子量
145.16 g/mol
単同位体質量
145.05276384

概要

Quinolin-2-ol is a monohydroxyquinoline carrying a hydroxy substituent at position 2. It is an intermediate metabolite produced duting the microbial degradation of quinoline. It has a role as a bacterial xenobiotic metabolite. It is a tautomer of a quinolin-2(1H)-one.

名称と識別子

優先名称
2-Hydroxyquinoline
IUPAC
1H-quinolin-2-one
英語名
2-Hydroxyquinoline
分子式
C9H7NO
分子量
145.15798

名称と別名

2-Hydroxyquinoline59-31-4CarbostyrilQuinolin-2(1H)-one2(1H)-Quinolinone2-Quinolone1H-quinolin-2-oneo-Aminocinnamic acid lactamalpha-Quinolone2-Quinolinone2(1H)-Quinolone803BHY7QWU
名称をさらに表示
DTXSID1058769NSC-156783CHEBI:18289RefChem:389257DTXCID7042510200-420-62-QuinolinolQuinolin-2-ol

データベース識別子

CAS
104534-80-7、1321-40-0、59-31-4、70254-42-1
PubChem CID
6038
DTXSID
DTXSID1058769
ChEMBL
CHEMBL186422
ChEBI
CHEBI:16365
UNII
803BHY7QWU
EC Number
200-420-6、274-516-1
Nikkaji
J4.598E

物性

構造計算による物性

XLogP
1.3
極性表面積
29.1 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
0
重原子数
11

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Quinolines
DrugsPharmaceuticals -> Listed in ZINC15
LogP1.32
Physical DescriptionLight yellow crystalline solid; [Sigma-Aldrich MSDS]

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302 (92%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 75 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

危険有害性情報

Regulatory Information · 2 件

Chemical: 2-Quinolinol

2(1H)-Quinolinone: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2-Quinolinol: Human health tier I assessment
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See Quinoline.
Hazard Classes and Categories · 2 件

Skin Irrit. 2 (100%)

Acute Tox. 4 (92%)

毒性情報

Adverse Effects · 1 件

The most common reported adverse effects of quinolones include gastrointestinal events such as nausea, vomiting, and diarrhea. Antibiotic-associated colitis is a common sequela of quinolone use due to its effect on the gut flora. The use of quinolones may result in higher rates of clostridium difficile infection compared to other antibiotics. Arthralgias are also a common adverse effect, especially in the pediatric population, and self-resolve after discontinuing therapy. Some patients may also experience serious anaphylactic and skin reactions, ranging from a minor rash and/or photosensitivity to Stevens-Johnson syndrome or toxic epidermal necrolysis.

Toxicity Summary · 1 件

If a patient begins to display signs of potential tendinitis or tendon rupture, the recommendation is to immediately discontinue the quinolone and avoid using the affected joint. Such signs can include tendon pain, swelling, or inflammation. It is also recommended to discontinue quinolones and initiate immediate supportive measures in cases with serious adverse events, including Stevens-Johnson syndrome, toxic epidermal necrolysis, hepatotoxicity, and anaphylaxis.

安全データ

危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302

化学と産業

用途と製造

General Manufacturing Information2(1H)-Quinolinone: INACTIVE

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関連反応

97 件

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