기본 정보
- CAS
18000-24-3- 표준 SMILES
O=C(O)c1cc(=O)c2ccc(Cl)cc2[nH]1- InChIKey
UAWVRVFHMOSAPU-UHFFFAOYSA-N- 분자식
- C10H6ClNO3
- 평균 분자량
- 223.61 g/mol
- 단동위원소 질량
- 223.0036207
이름 및 식별자
- 우선 이름
- 7-Chlorokynurenic acid
- IUPAC
- 7-chloro-4-oxo-1H-quinoline-2-carboxylic acid
- 영어명
- 7-Chloro-4-hydroxyquinoline-2-carboxylic acid HCl
- 분자식
- C10H6ClNO3
- 분자량
- 223.61
이름 및 동의어
7-Chlorokynurenic acid18000-24-37-chloro-4-oxo-1H-quinoline-2-carboxylic acidKynurenic acid, 7-chloro-NSC-149792S7936QON2KDTXSID7042568CHEBI:63965RefChem:546270DTXCID5022568241-913-67-Chloro-4-hydroxyquinoline-2-carboxylic acid
이름 더 보기
7-Chloroquinurenic acidKynurenic Acid Impurity 17-Chlorokynurenic acid (7-CKA)7-CHLOROKYNURENIC ACID HYDROCHLORIDE7-Chlorokynurenic acid, 10 mM in DMSO7-Chloro-4-hydroxy-2-quinolinecarboxylic acid
7-CKA7CKA2-Quinolinecarboxylic acid, 7-chloro-4-hydroxy-7-Cl-KYNAMFCD000692277-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylic acid77474-31-87-chloro-4-hydroxy-2-carboxyquinoline
데이터베이스 식별자
- CAS
18000-24-3- PubChem CID
- 1884
- DTXSID
DTXSID7042568- ChEMBL
CHEMBL311389- ChEBI
CHEBI:63965- UNII
- S7936QON2K
- EC Number
- 241-913-6
- Nikkaji
- J260.823E、J377.342F
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 66.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 340
물리화학적 성질
- 녹는점
- 277 · 277-278 °C (decomp)
- 끓는 점
- 461.5 · 461.5±45.0 °C(Predicted)
- 밀도
- 1.6 · 1.600±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 0.1 M · 0.1M NaOH: 13.7 mg/mL
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 0.9 · 0.90±0.30(Predicted)
- 색상
- 갈색을 띤 노란색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
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]
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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
응용 분야
용도NMDA receptor antagonist at the glycine site
공급사44 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司
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