기본 정보
- CAS
69-05-6- 표준 SMILES
CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl.Cl- InChIKey
UDKVBVICMUEIKS-UHFFFAOYSA-N- 분자식
- C23H32Cl3N3O
- 평균 분자량
- 472.9 g/mol
- 단동위원소 질량
- 471.161096
개요
Quinacrine dihydrochloride appears as bright yellowish needles or bright yellow powder. Odorless. pH of a 1% aqueous solution is about 4.5.(NTP, 1992). Used as an anti-malarial drug. Moderately toxic.
이름 및 식별자
- 우선 이름
- Quinacrine Dihydrochloride
- IUPAC
- 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride
- 영어명
- Quinacrine dihydrochloride
- 분자식
- C23H32Cl3N3O
- 분자량
- 472.88
이름 및 동의어
QUINACRINE DIHYDROCHLORIDE69-05-6Mepacrine dihydrochlorideCrinodoraItalchinMetochinMetoquinMetoquinePalacrinPalusanPentilenChemiochin
이름 더 보기
QUINACRINEMEPACRINEATABRINEsn390erion866r.p.erionHCl
MalaricidaMethoquineMecrylChinacrin hydrochloride866 R.P.chinacrin2-Chloro-5-(omega-diethylamino-alpha-methylbutylamino)-7-methoxyacridine dihydrochlorideAcridine, 6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxy-, dihydrochloride
데이터베이스 식별자
- CAS
69-05-6- PubChem CID
- 6239
- DTXSID
DTXSID6025985- ChEMBL
CHEMBL2105615、CHEMBL554190- UNII
- 81A613ZZ6X
- EC Number
- 200-700-8
물성
구조 계산 물성
- 극성 표면적
- 37.4 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 461
실험 및 물리화학적 성질
Solubility10 to 50 mg/mL at 64 °F (NTP, 1992)
Melting Point478 to 482 °F (Decomposes) (NTP, 1992)
Physical DescriptionQuinacrine dihydrochloride appears as bright yellowish needles or bright yellow powder. Odorless. pH of a 1% aqueous solution is about 4.5.(NTP, 1992). Used as an anti-malarial drug. Moderately toxic.
Collision Cross Section195.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 249 · 249-251℃ (Decomposition)
- 밀도
- 1.2962 · 1.2962 (rough estimate)
- 굴절률
- 1.63 · 1.6300 (estimate)
- 저장 조건
- 15 C · +15C to +30C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨, 초음파 처리), 물(약간 용해됨)
- 산도 계수 (pKa)
- -6.3 · pKa -6.3(H2O t undefined I not reported but low) (Uncertain)
- 물리적 상태
- 노란색 고체
- 색상
- 밝은 노란색에서 노란색까지
- 수소이온지수(pH)
- 3 · 3.0~5.0 (20g/l, 25℃)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
6-chloro-N-[5-(diethylamino)pentan-2-yl]-2-methoxyacridin-9-amine dihydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 1,4-Pentanediamine, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-, dihydrochloride: Human health tier I assessment
Fire HazardsFlash point data for this chemical are not available, but it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound include discoloration of the skin, sclera and urine, exfoliative dermatitis, acute hepatic necrosis, agranulocytosis, aplastic anemia, corneal edema and psychosis.
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity ProfileQUINACRINE DIHYDROCHLORIDE is an acidic salt of an amine. React as a weak acid to neutralize bases.
Air and Water ReactionsWater soluble.
Hazard Classes and Categories
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents used to treat tapeworm infestations in man or animals.
Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585)
Substances used in the treatment or control of nematode infestations. They are used also in veterinary practice.
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
응용 분야
용도Quinacrine dihydrochloride has been used:in its uptake and accumulation studies in mouse lung slices using fluorescence microscopein the staining of ATP vesicles in mesenchymal stem cells (MSCs)in uptake-release assay for characterization of dense granule functionality of platelets
일반 설명Bright yellowish needles or bright yellow powder. Odorless. pH of a 1% aqueous solution is about 4.5.. Used as an anti-malarial drug. Moderately toxic.
공급사93 곳
上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
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