기본 정보
- 표준 SMILES
CCO[C@H]1O[C@@H]2OC3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3- InChIKey
NLYNIRQVMRLPIQ-BVCZABNKSA-N- 분자식
- C17H28O5
- 평균 분자량
- 312.4 g/mol
- 단동위원소 질량
- 312.19367399
이름 및 식별자
- 우선 이름
- Dihydroartemisinin ethyl ether
- IUPAC
- (4S,5R,8S,9R,10S,12R,13R)-10-ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
- 현지명
- 아티에테르
- 영어명
- Arteether
- 분자식
- C17H28O5
- 분자량
- 312.4
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
75887-54-6- PubChem CID
- 72416
- DTXSID
DTXSID6057821- ChEMBL
CHEMBL3560584
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 46.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 443
물리화학적 성질
- 녹는점
- 80 · 80-820C
- 끓는 점
- 372.4 · 372.4±42.0 °C(Predicted)
- 밀도
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 하얀색
- InChI
- InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1
- InChIKey
- NLYNIRQVMRLPIQ-XQLAAWPRSA-N
- SMILES
- O1[C@]23[C@@]4([H])O[C@@](C)(CC[C@@]2([H])[C@H](C)CC[C@@]3([H])[C@@H](C)[C@@H](OCC)O4)O1
화학적 성질
White Crystalline Solid
안전 및 규제
안전 데이터
- wgk
- WGK 3
- Hazard Classifications
- Repr. 2
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
응용 분야
개요Arteether reached the market in the Netherlands as a solution in sesame oil, administered by i.m. injection, for the treatment of severe malaria infections in children and adolescents. Artheether, a sesquiterpene acetal with an endoperoxide bridge, is an ether derivative of the naturally occuring compound artemisinin, the active component of Chinese herbal remedies. As the other structural analogs of artemisinin, such as artesunate or artemether, it acts rapidly against Plasmodium, the parasite responsible for the disease, during the early blood stage of its development. It also exhibits a gametocytocidal activity against Plasmodium falciparum, reducing its potential for transmission. Because the only controlled clinical studies had been performed in children and adolescents, this new antimalarial drug was only approved for young patients. Further studies in adults treated with 150 mg i.m. artemotil, once daily for three consecutive days, indicated that the drug was efficient, rapidly acting (parasite clearance time meanly 38 h) and well tolerated. A new promising achievement in the regression of malaria is the combination of artemisinin derivatives with other long-lived antimalarials as mefloquine or pyrimethamine/sulfa.
용도Derivative of Artemisinin. Antimalarial
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