기본 정보
- CAS
773-76-2- 표준 SMILES
Oc1c(Cl)cc(Cl)c2cccnc12- InChIKey
WDFKMLRRRCGAKS-UHFFFAOYSA-N- 분자식
- C9H5Cl2NO
- 평균 분자량
- 214.04 g/mol
- 단동위원소 질량
- 212.9748192
개요
Chloroxine is a monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 have been substituted by chlorine. A synthetic antibacterial prepared by chlorination of quinolin-8-ol, it is used for the treatment of dandruff and seborrhoeic dermatitis of the scalp. It has a role as an antibacterial agent, an antiseborrheic and an antifungal drug. It is an organochlorine compound and a monohydroxyquinoline. It is functionally related to a quinolin-8-ol.
이름 및 식별자
- 우선 이름
- Chloroxine
- IUPAC
- 5,7-dichloroquinolin-8-ol
- 영어명
- 5,7-Dichloro-8-hydroxyquinoline
- 분자식
- C9H5Cl2NO
- 분자량
- 214.05
이름 및 동의어
chloroxine773-76-25,7-Dichloroquinolin-8-ol5,7-Dichloro-8-hydroxyquinoline5,7-Dichloro-8-quinolinolChlorquinolCapitrolQuixalinDichlorohydroxyquinoline5,7-Dichlorooxine5,7-Dichloroxine8-QUINOLINOL, 5,7-DICHLORO-
이름 더 보기
CHQQuesylClofuzidEndiaronChlofucidDichloroxinChhoroox-ine
5,7-Dichloro-8-oxyquinoline5,7-Dichlor-8-hydroxychinolinDTXSID5022801NSC-39042I8BD50I8BCHEBI:59477NSC3904DTXCID202801
데이터베이스 식별자
- CAS
773-76-2- PubChem CID
- 2722
- DTXSID
DTXSID5022801- ChEMBL
CHEMBL1200596- ChEBI
CHEBI:59477- UNII
- 2I8BD50I8B
- EC Number
- 212-258-3
- Nikkaji
- J7.088B
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 33.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 190
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesAngular frequency
LogP3
Solubility1.38e-01 g/L
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Melting Point179.5 °C
Physical DescriptionSolid
Collision Cross Section
132.71 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
134.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 178 · 178-180 °C (lit.)
- 끓는 점
- 305.47 °C · 305.47°C (rough estimate)
- 밀도
- 1.332 · 1.3320 (rough estimate)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (93.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (93.5%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VC5350000
- HS 번호
- 29334900
- risk_code
- 22-37/38-41-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-36-37/39-25-22
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
PharmacodynamicsChloroxine has an antibacterial action, inhibiting the growth of gram-positive as well as some gram-negative organisms. Also, chloroxine has shown some antifungal activity against certain dermatophytes and yeasts.
Mechanism of Action
Although the mechanism of action is not understood, chloroxine may slow down mitotic activity in the epidermis, thereby reducing excessive scaling associated with dandruff or seborrheic dermatitis of the scalp. Chloroxine induces SOS-DNA repair in E. coli, so chloroxine may be genotoxic to bacteria.
MeSH Pharmacological Classification
Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
Substances that inhibit the growth or reproduction of BACTERIA.
Cellular LocationsMembrane
용도 및 제조
General Manufacturing Information8-Quinolinol, 5,7-dichloro-: ACTIVE
응용 분야
용도H1 antihistamine
상·하류 제품 정보
상류 원료
관련 반응
2건
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