(9S)-6'-Methoxycinchonan-9-ol monohydrochloride
기본 정보
- CAS
130-89-2- 표준 SMILES
C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.Cl- InChIKey
LBSFSRMTJJPTCW-UHFFFAOYSA-N- 분자식
- C20H25ClN2O2
- 평균 분자량
- 360.9 g/mol
- 단동위원소 질량
- 360.1604557
개요
See also: Quinidine hydrochloride (annotation moved to).
이름 및 식별자
- 우선 이름
- (9S)-6'-Methoxycinchonan-9-ol monohydrochloride
- IUPAC
- (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;hydrochloride
- 영어명
- Quinine hydrochloride
- 분자식
- C20H25ClN2O2
- 분자량
- 360.88
이름 및 동의어
(9S)-6'-Methoxycinchonan-9-ol monohydrochlorideSCHEMBL28108278(6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol;hydrochlorideCinchonan-9-ol, 6'-methoxy-, hydrochloride (1:1), (8.alpha.,9R)-(R)(6-Methoxy-4-quinolyl)(5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)methanol hydrochlorideQUININE HCLQUININE HCLQUININE HCchinimettenquininemuriatequininechlorideQuinine Impurity 11
이름 더 보기
Quinine hydrochloridQUININE HYDROCHLORIDEQuinine HCL & Sulfate
데이터베이스 식별자
- CAS
130-89-2- PubChem CID
- 6850727
물성
구조 계산 물성
- 극성 표면적
- 45.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 457
물리화학적 성질
- 녹는점
- 158 · 158-160 C
- 밀도
- 1.1206 · 1.1206 (rough estimate)
- 굴절률
- 1.54 · 1.5400 (estimate)
- FEMA
- 2976 · 2976 | QUININE HYDROCHLORIDE
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- DMSO(약간 용해됨), 에탄올(1g/1ml), 글리세롤(1g/7ml), 클로로포름(1g/1ml)
- 물리적 상태
- 고체
- 색상
- 하얀색
- 수용성
- 549.7 mg/L · 549.7mg/L(25℃)
- InChIKey
- LBSFSRMTJJPTCW-QJLYHTAINA-N
- SMILES
- C12C=C(C=CC=1N=CC=C2[C@@H](O)[C@]1([H])C[C@]2([H])CCN1C[C@@H]2C=C)OC.Cl |&1:10,12,15,21,r|
- LogP
- 3.496 · 3.496 (est)
- EPA
- -9 · Cinchonan-9-ol, 6'-methoxy-, hydrochloride (1:1), (8.alpha.,9R)- (130-89-2)
화학적 성질
Quinine hydrochloride is a white, silky, glittering needles; odourless, effloresces when exposed to warm air. Soluble in water, very soluble in ethanol, freely soluble in chloroform, insoluble in ether. Its solutions are neutral or alkaline to litmus. It is an alkaloid derived from the bark of the cinchona tree. Quinine Hydrochloride is used as ingredient of beverages and injection medication.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
- ridadr
- 1544
- 독성
- cat,LDLo,intravenous,80mg/kg (80mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 30, Pg. 327, 1927.
- HS 번호
- 29392000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- 포장분류
- III
- 위험 등급
- 6.1(b)
화학 및 산업
용도 및 제조
General Manufacturing InformationCinchonan-9-ol, 6'-methoxy-, hydrochloride (1:1), (8.alpha.,9R)-: ACTIVE
응용 분야
용도Quinine Hydrochloride is used as an antimalarial drug, and is the active ingredient in extracts of the cinchona that have been used for that purpose since before 1633. Quinine is also a mild antipyretic and analgesic and has been used in common cold preparations for that purpose. It was used commonly and as a bitter and flavoring agent, and is still useful for the treatment of babesiosis. Quinine is also useful in some muscular disorders, especially nocturnal leg cramps and myotonia congenita, because of its direct effects on muscle membrane and sodium channels. The mechanisms of its antimalarial effects are not well understood.
상·하류 제품 정보
상류 원료
추가 설명
정의Quinine Hydrochloride is the hydrochloride of a natural substance, quinine, obtained from the bark of various species of Cinchona including Cinchona succirubra, Pavon. (red cinchona); Cinchona officinalis, Linn; Cinchona calizaya, Wenddell; Cinchona ledgeriana, Moens. It is a nature-derived bitter flavoring agent for tonic water, among other beverages.
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