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HCID 3845생성일: 2026년 10월 27일

1,4-DIHYDRO-4-OXOQUINOLINE-2-카르복실산

1,4-DIHYDRO-4-OXOQUINOLINE-2-카르복실산 · 4-OXO-1,4-DIHYDROQUINOLINE-2-CARBOXYLIC ACID · Kynurenate · CCRIS 4428 · Transtorine · Kinurenic acid · Kynuronic acid · Quinaldic acid, 4-hydroxy-

https://huagongshe.com/ko/chemical/3845

1,4-DIHYDRO-4-OXOQUINOLINE-2-카르복실산 분자 구조식

식별자 및 물리적 특성

CAS No.13593-94-7
분자식C10H7NO3
평균 분자량189.17 g/mol
단동위원소 질량189.04259309 g/mol
SMILESO=C(O)c1cc(=O)c2ccccc2[nH]1
InChIKeyHCZHHEIFKROPDY-UHFFFAOYSA-N
PubChem CID3845
ChEMBLCHEMBL299155
ChEBICHEBI:18344
EC No.207-751-5
DTXSIDDTXSID8075417
현지명1,4-DIHYDRO-4-OXOQUINOLINE-2-카르복실산

화학 및 물리적 성질

XLogP1.3
극성 표면적66.4
수소 결합 공여자 수2
수소 결합 수용자 수4
회전 가능 결합 수1
무거운 원자 수14
형식 전하0
복잡도308
용해도>28.4 [ug/mL] (The mean of the results at pH 7.4)
녹는점280 °C123 °C
Physical DescriptionYellow solid[Merck Index] Yellow needles[Alfa Aesar MSDS]
Collision Cross Section151.1 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]136.7 Ų [M+H]+ [CCS Type: DT133.9 Ų [M-H]- [CCS Type: DT137 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]149.51 Ų [M+Na-2H]- [CCS Type: DT140.99 Ų [M+H]+ [CCS Type: DTMethod: stepped-field]137.3 Ų [M-H]- [CCS Type: DT154.12 Ų [M+Na]+ [CCS Type: DT135.3 Ų [M-H]-151.2 Ų [M+Na]+136.6 Ų [M+H]+
끓는 점358.4±42.0 °C(Predicted)
밀도1.429±0.06 g/cm3(Predicted)
저장 조건Sealed in dry,Room Temperature
물리적 상태Solid
pKa(산도 계수)3.49±0.20(Predicted)
색상White to off-white

안전 및 규제

GHS 분류WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보2-Quinolinecarboxylic acid, 4-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약Causes anticonvulsant behavior in acute intracerebral and intraperitoneal studies of miceCauses other degenerative changes of brain and coverings in acute intracerebral studies of ratsCauses analgesia in acute intraspinal studies of rats[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See Quinoline.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.4%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
TreatmentKidney dialysis is usually needed to relieve the symptoms of uremic syndrome until normal kidney function can be restored.
건강 영향Chronic exposure to uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease.
노출 경로Endogenous, Ingestion, Dermal (contact)
독성 요약Uremic toxins such as kynurenic acid are actively transported into the kidneys via organic ion transporters (especially OAT3). Increased levels of uremic toxins can stimulate the production of reactive oxygen species. This seems to be mediated by the direct binding or inhibition by uremic toxins of the enzyme NADPH oxidase (especially NOX4 which is abundant in the kidneys and heart) (A7868). Reactive oxygen species can induce several different DNA methyltransferases (DNMTs) which are involved in the silencing of a protein known as KLOTHO. KLOTHO has been identified as having important roles in anti-aging, mineral metabolism, and vitamin D metabolism. A number of studies have indicated that KLOTHO mRNA and protein levels are reduced during acute or chronic kidney diseases in response to high local levels of reactive oxygen species (A7869).
Signs and SymptomsAs a uremic toxin, this compound can cause uremic syndrome. Uremic syndrome may affect any part of the body and can cause nausea, vomiting, loss of appetite, and weight loss. It can also cause changes in mental status, such as confusion, reduced awareness, agitation, psychosis, seizures, and coma. Abnormal bleeding, such as bleeding spontaneously or profusely from a very minor injury can also occur. Heart problems, such as an irregular heartbeat, inflammation in the sac that surrounds the heart (pericarditis), and increased pressure on the heart can be seen in patients with uremic syndrome. Shortness of breath from fluid buildup in the space between the lungs and the chest wall (pleural effusion) can also be present.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
위험 등급IRRITANT