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Hydroxychloroquine

HCID 3652
노트반응

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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
118-42-3
표준 SMILES
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12
InChIKey
XXSMGPRMXLTPCZ-UHFFFAOYSA-N
분자식
C18H26ClN3O
평균 분자량
335.879 g/mol
단동위원소 질량
335.17644013

이름 및 식별자

우선 이름
Hydroxychloroquine
IUPAC
2-[{4-[(7-Chloroquinolin-4-yl)amino]pentyl}(ethyl)amino]ethan-1-ol
영어명
Hydroxychloroquine
분자식
C18H26ClN3O
분자량
335.88

이름 및 동의어

hydroxychloroquineHCQplaquenilHydroychloroquineHydroxychloroquine base7-chloro-4-(4-(n-ethyl-n-beta-hydroxyethylamino)-1-methylbutylamino)quinolinC07043win1258OxychlorochinOxychloroquine

데이터베이스 식별자

CAS
118-42-3
PubChem CID
3652
DTXSID
DTXSID8023135
ChEMBL
CHEMBL1535
ChEBI
CHEBI:5801
UNII
4QWG6N8QKH
EC Number
204-249-8
Nikkaji
J5.298A

물성

물리화학적 성질

녹는점
89 · 89-91°
끓는 점
516.7 · 516.7±50.0 °C(Predicted)
밀도
1.1438 · 1.1438 (rough estimate)
굴절률
1.579 · 1.5790 (estimate)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
클로로포름 (약간 용해됨), DMSO (약간 용해됨), 메탄올 (약간 용해됨)
물리적 상태
고체
산도 계수 (pKa)
14.76 · 14.76±0.10(Predicted)
색상
흰색에서 황백색까지
BCS Class
2 · 2
InChI
InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
InChIKey
XXSMGPRMXLTPCZ-UHFFFAOYSA-N
SMILES
C(O)CN(CCCC(NC1=C2C(=NC=C1)C=C(Cl)C=C2)C)CC
NIST
Hydroxychloroquine(118-42-3)
EPA
2 · Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]ethylamino]- (118-42-3)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

wgk
WGK 1
독성
child,LDLo,oral,600mg/kg (600mg/kg),BRAIN AND COVERINGS: INCREASED INTRACRANIAL PRESSUREBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDCARDIAC: OTHER CHANGES,Journal of Analytical Toxicology. Vol. 14, Pg. 186, 1990.
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

역사Chloroquine was discovered by Hans Andersag and coworkers at the Bayer laboratories in 1934. It is a a synthetic analogue with the same mechanism of action with quinine. This was introduced into clinical practice in 1947 for the prophylactic treatment of malaria. Researchers subsequently attempted to discover structural analogs with superior properties and one of these was hydroxychloroquine.

용도Hydroxychloroquine is used to treat autoimmune diseases, such as systemic lupus erythematosus and rheumatoid arthritis, in addition to malaria.Hydroxychloroquine is a disease-modifying anti-rheumatic drug (DMARD). It regulates the activity of the immune system, which may be overactive in some conditions. Hydroxychloroquine can modify the underlying disease process, rather than simply treating the symptoms.Hydroxychloroquine is used to treat:rheumatoid arthritisdiscoid and systemic lupus erythematosus (SLE)juvenile idiopathic arthritis (JIA).Over the long term hydroxychloroquine can reduce pain, swelling and joint stiffness. If you have lupus, it may also improve the rash. It may be as long as 12 weeks before you notice the benefits.

상·하류 제품 정보

상류 원료

황산수소에틸아미노에탄올암모니아(가스)5-클로로-2-펜타논4,7-Dichloroquinoline인산7-Chloro-4-fluoroquinoline2,3-Dichloroquinoline2-(4-Aminopentyl(ethyl)amino)ethanol2-Pentanone, 5-iodo-

관련 반응

2건
반응 기록 만들기
HRID 317812 반응식
HRID 317812반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1883522 반응식
HRID 1883522반응물로uspto-grants-2004_07

화합물 노트

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이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
5-[에틸(2-히드록시에틸)아미노]펜탄-2-온
α-아세틸-γ-부틸올락톤

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추가 설명 · 1건

정의ChEBI: An aminoquinoline that is chloroquine in which one of the N-ethyl groups is hydroxylated at position 2. An antimalarial with properties similar to chloroquine that acts against erythrocytic forms of malarial parasites, it is mainly used s the sulfate salt for the treatment of lupus erythematosus, rheumatoid arthritis, and light-sensitive skin eruptions.